data_2ly8_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 2ly8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.724 0.297 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.577 ' C ' ' H ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.643 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.591 ' C ' ' H ' ' A' ' 23' ' ' GLN . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.643 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.591 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' CD ' HE22 ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.4 mm-40 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' OG1' ' A' ' 90' ' ' THR . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.424 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.51 ' HG1' ' N ' ' A' ' 93' ' ' GLU . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.51 ' N ' ' HG1' ' A' ' 92' ' ' THR . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.582 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.638 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.638 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CD ' HE22 ' A' ' 28' ' ' GLN . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.7 mm-40 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 35' ' ' LEU . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.479 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.464 ' CD1' ' HG1' ' A' ' 19' ' ' THR . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 90' ' ' THR . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.646 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CD ' HE22 ' A' ' 28' ' ' GLN . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.435 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.2 mm-40 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' OG1' ' A' ' 90' ' ' THR . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.796 0.331 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.594 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.403 HE22 ' HG2' ' A' ' 26' ' ' ARG . 71.7 mm-40 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' MET . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' LYS . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HZ1' ' CD1' ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.64 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.602 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.692 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.437 ' CD1' ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 90' ' ' THR . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.585 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 41.6 t80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HZ2' ' CD1' ' A' ' 32' ' ' ILE . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.646 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.614 ' H ' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' CD ' HE22 ' A' ' 28' ' ' GLN . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.406 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.1 mm-40 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 35' ' ' LEU . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CD1' ' HZ2' ' A' ' 12' ' ' LYS . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 31' ' ' ALA . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.5 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' O ' ' OG1' ' A' ' 90' ' ' THR . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CD ' HE22 ' A' ' 28' ' ' GLN . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 HE22 ' CD ' ' A' ' 26' ' ' ARG . 80.1 mm-40 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.542 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.471 ' O ' ' OG1' ' A' ' 90' ' ' THR . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' H ' ' HG1' ' A' ' 92' ' ' THR . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 12' ' ' LYS . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.626 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.626 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' C ' HE22 ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.727 ' N ' ' CD ' ' A' ' 28' ' ' GLN . 9.8 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 35' ' ' LEU . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' OG1' ' A' ' 90' ' ' THR . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.516 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.516 ' H ' ' HG1' ' A' ' 92' ' ' THR . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 104' ' ' ASP . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.48 ' H ' ' HG1' ' A' ' 101' ' ' THR . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.851 0.358 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.603 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.638 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.603 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.638 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 84' ' ' VAL . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.433 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.458 0.17 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HZ2' ' CD1' ' A' ' 32' ' ' ILE . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.569 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.46 ' CD ' HE22 ' A' ' 28' ' ' GLN . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.46 HE22 ' CD ' ' A' ' 26' ' ' ARG . 80.2 mm-40 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.437 ' CD1' ' HZ2' ' A' ' 12' ' ' LYS . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.54 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.54 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 90' ' ' THR . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.534 ' HG1' ' N ' ' A' ' 93' ' ' GLU . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' HG1' ' A' ' 92' ' ' THR . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' LYS . 62.6 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.96 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.329 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.84 -39.4 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' HZ2' ' NE ' ' A' ' 9' ' ' ARG . 64.8 tttp -138.75 132.41 30.66 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.449 HG12 ' H ' ' A' ' 8' ' ' ALA . 11.3 tt -122.57 85.11 48.53 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 121.59 0.71 . . . . 0.0 110.711 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -53.89 -38.21 85.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 123.018 2.479 . . . . 0.0 113.718 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.76 -46.98 87.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.88 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' H ' HG12 ' A' ' 5' ' ' ILE . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NE ' ' HZ2' ' A' ' 4' ' ' LYS . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.577 ' C ' ' H ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.643 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.591 ' C ' ' H ' ' A' ' 23' ' ' GLN . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.643 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.591 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' CD ' HE22 ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.4 mm-40 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.99 79.64 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -62.72 -42.59 99.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.187 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.81 -46.6 81.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.474 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.63 -41.23 84.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.26 -40.72 99.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.453 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.2 -46.63 66.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.749 0.785 . . . . 0.0 110.31 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.24 -50.0 74.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.77 -37.07 86.0 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.578 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.8 m170 -66.73 -38.69 87.17 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.164 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.1 p -69.08 -29.28 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.693 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.42 -39.52 93.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.108 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.73 -33.92 76.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.881 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' LEU . 81.8 mt -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.68 -19.61 50.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.937 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -40.99 96.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.17 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -142.01 -21.24 0.71 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.203 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 53' ' ' LEU . 83.4 mt -100.13 160.01 14.66 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.349 0.595 . . . . 0.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -124.48 96.23 41.68 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.543 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.28 140.42 52.23 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 122.392 2.061 . . . . 0.0 112.264 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -83.15 84.85 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.007 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.28 -39.82 97.74 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.35 153.69 26.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.702 0.287 . . . . 0.0 110.762 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ILE . 56.9 mtpt 56.69 53.59 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.066 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.64 68.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' LYS . 59.8 mt -123.52 99.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.887 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -161.43 72.64 0.42 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.536 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . 70.41 30.11 69.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 2.8 mm? 47.99 106.31 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.355 0.598 . . . . 0.0 110.609 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.61 -41.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.09 -42.46 98.55 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.897 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.33 -45.74 91.86 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 96.6 mt-10 -61.77 -46.43 89.63 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.905 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 66.3 t -62.16 -42.43 95.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.249 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.32 -49.76 68.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.934 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.7 -34.41 78.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 73' ' ' VAL . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.593 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' OG1' ' A' ' 90' ' ' THR . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.424 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.51 ' HG1' ' N ' ' A' ' 93' ' ' GLU . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.51 ' N ' ' HG1' ' A' ' 92' ' ' THR . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.33 -38.11 89.88 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.77 -46.29 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.961 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.47 -19.05 59.66 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.397 0.618 . . . . 0.0 110.517 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.4 -13.25 62.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.122 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 24.34 5.12 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.469 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.545 ' C ' ' H ' ' A' ' 116' ' ' LEU . 20.6 mmm180 -101.96 155.23 18.29 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 114' ' ' ARG . 1.5 p 73.48 -22.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.574 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 114' ' ' ARG . 9.2 mp 47.44 23.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.517 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.482 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 31.7 t80 50.56 12.75 0.11 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 116' ' ' LEU . . . 85.38 3.9 86.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.81 -39.44 94.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.72 104.66 2.67 Favored Glycine 0 C--N 1.328 0.133 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.982 -1.455 . . . . 0.0 111.201 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.446 ' H1 ' ' H ' ' A' ' 2' ' ' ILE . 2.4 pp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.446 ' H ' ' H1 ' ' A' ' 1' ' ' LEU . 20.1 tt -62.83 -28.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -61.05 -43.67 98.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -64.96 140.39 58.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.149 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.0 mt -113.57 95.79 37.84 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.996 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.8 -37.89 66.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.405 2.07 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.689 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.582 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.638 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.638 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' CD ' HE22 ' A' ' 28' ' ' GLN . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.7 mm-40 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 35' ' ' LEU . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.23 -42.04 69.41 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.763 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.77 -47.13 82.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.638 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -59.28 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.72 98.82 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.898 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.28 -44.66 67.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.769 0.795 . . . . 0.0 110.645 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.38 -50.3 74.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.804 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.71 -38.53 83.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.034 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.65 -45.52 82.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 52' ' ' LEU . 7.3 t -94.69 -145.35 0.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.04 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.484 ' N ' ' CG2' ' A' ' 50' ' ' THR . 4.0 t30 62.11 -4.46 0.2 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 50' ' ' THR . 86.8 mt -74.39 -11.93 60.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.35 -26.5 68.05 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.58 -8.18 4.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.35 13.39 5.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.986 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 t60 67.3 46.22 1.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -89.41 163.93 15.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.145 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.49 96.16 47.82 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.546 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.95 139.85 40.48 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.445 2.097 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -86.73 -2.0 58.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 1.63 90.12 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.4 m -68.68 -18.17 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.065 -0.567 . . . . 0.0 110.626 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -124.32 106.98 10.68 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -75.59 127.56 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.61 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 67' ' ' GLY . 1.3 mp -90.25 -37.55 9.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 65' ' ' ILE . 3.0 p 77.33 -23.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . 90.1 -10.17 74.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 63.6 mt -108.2 91.43 3.64 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.052 0.454 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 69' ' ' ILE . 92.0 mt -62.71 -42.42 96.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.437 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.88 -45.33 92.83 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.761 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 65' ' ' ILE . 97.7 mt-10 -62.43 -44.0 97.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.35 0.595 . . . . 0.0 110.58 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.03 -38.03 80.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 CA-C-O 122.253 1.025 . . . . 0.0 109.638 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.64 -48.34 82.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.664 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.25 59.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.894 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.479 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.479 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.464 ' CD1' ' HG1' ' A' ' 19' ' ' THR . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 90' ' ' THR . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.48 -37.48 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.15 -46.33 90.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.41 -19.75 61.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.379 0.609 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.82 -5.05 54.68 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.881 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.82 34.22 1.9 Allowed Glycine 0 N--CA 1.472 1.091 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.343 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -121.37 155.99 33.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.263 0.532 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 m 56.26 32.8 21.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.241 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 150.4 25.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.683 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.4 6.68 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.16 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 91.51 -3.65 79.08 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.36 7.45 35.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.92 3.21 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.052 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.31 -43.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 74.5 m -60.8 -38.94 87.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' SER . 67.7 mttm 57.43 117.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 pt -128.43 58.72 36.88 Favored Pre-proline 0 C--O 1.233 0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.03 -31.26 66.06 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.382 2.055 . . . . 0.0 112.116 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.35 -41.08 81.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.646 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CD ' HE22 ' A' ' 28' ' ' GLN . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.435 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.2 mm-40 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.61 -41.89 71.67 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.55 -40.34 92.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.78 -48.22 77.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.444 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.78 -41.82 86.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.83 -40.55 99.37 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.657 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -70.02 -46.04 65.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.645 0.736 . . . . 0.0 110.56 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.77 -50.21 74.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.681 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.56 -37.16 84.37 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.157 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.28 -46.02 85.48 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.392 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.8 t -90.29 97.09 10.98 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.725 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -178.31 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.49 -14.89 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 111.164 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 57' ' ' LEU . 82.3 mt -63.04 -34.53 77.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -20.5 54.14 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.848 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.05 -40.84 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -131.78 -30.31 1.63 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.777 0.323 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 53' ' ' LEU . 4.3 mm? -96.13 165.26 12.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.329 0.585 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.34 97.28 40.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.918 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -51.31 136.71 47.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.293 1.995 . . . . 0.0 112.761 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -112.72 22.33 14.64 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.57 20.81 16.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m -60.8 -38.23 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.701 0.286 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' A' ' 65' ' ' ILE . 62.9 mttp -60.5 -36.95 79.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.025 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.9 -4.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.513 ' H ' ' C ' ' A' ' 63' ' ' LYS . 42.4 pt -114.47 7.86 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 117.989 0.359 . . . . 0.0 111.066 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -61.49 -40.33 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.189 0.519 . . . . 0.0 109.895 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.91 165.24 27.72 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 68' ' ' LEU . 8.4 mp -77.81 105.9 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.044 0.45 . . . . 0.0 110.295 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.422 ' H ' HD12 ' A' ' 69' ' ' ILE . 3.8 mp -62.35 -42.1 94.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.24 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.98 -40.57 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.048 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.8 -45.41 92.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.984 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 98.0 mt-10 -62.87 -47.52 82.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.591 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.81 -41.95 94.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.384 0.611 . . . . 0.0 109.841 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.65 -49.08 72.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.6 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.66 -28.69 66.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.467 ' O ' ' OG1' ' A' ' 90' ' ' THR . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.49 -37.95 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.39 -46.21 90.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -72.53 -17.98 61.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.558 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.21 -3.55 40.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.011 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.6 11.77 20.57 Favored Glycine 0 N--CA 1.47 0.916 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.385 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 115' ' ' THR . 15.8 mmp_? -90.94 156.49 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 114' ' ' ARG . 0.7 OUTLIER 83.77 -27.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' THR . 8.2 mp 54.97 114.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.104 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -67.92 -27.16 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.373 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.27 6.18 3.16 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.75 -39.61 92.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.839 0.352 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.89 101.99 2.63 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.123 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -82.05 -2.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.792 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -60.75 -43.89 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt 44.93 -131.02 0.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.232 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -89.2 121.1 69.78 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.24 -34.0 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.046 1.164 . . . . 0.0 111.784 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -62.03 -46.3 89.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.376 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.594 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.594 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.403 HE22 ' HG2' ' A' ' 26' ' ' ARG . 71.7 mm-40 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' MET . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.91 82.6 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.44 -40.81 98.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.55 -45.91 85.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.092 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -59.35 -41.39 84.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.15 -40.51 99.24 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.624 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.1 tp -69.15 -45.02 71.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.643 0.735 . . . . 0.0 110.215 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.34 -50.37 73.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.33 -37.3 85.05 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.244 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.5 m170 -66.64 -38.44 86.9 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.124 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.617 ' C ' ' H ' ' A' ' 52' ' ' LEU . 8.5 t -104.11 -165.8 1.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.578 0.228 . . . . 0.0 110.467 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER 64.54 -28.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.11 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.617 ' H ' ' C ' ' A' ' 50' ' ' THR . 88.7 mt -76.41 -11.39 59.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 109.846 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 57' ' ' LEU . 80.4 mt -63.56 -29.81 71.01 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.97 60.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.518 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.46 -41.18 98.58 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.168 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -136.9 -28.45 0.96 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 53' ' ' LEU . 11.0 mp -98.18 162.28 13.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.038 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -124.99 96.77 39.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -53.41 138.23 65.27 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.192 1.928 . . . . 0.0 112.347 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -111.28 57.53 0.63 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.13 97.73 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.6 m -78.02 102.03 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.553 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -178.47 -77.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -160.61 127.25 4.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.01 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -145.88 78.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.73 0.3 . . . . 0.0 110.655 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -69.59 -23.47 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.644 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.89 149.67 44.96 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -97.66 114.56 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.342 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.97 -43.68 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.941 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -59.48 -45.58 91.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.433 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -59.83 -43.69 94.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.951 0.405 . . . . 0.0 110.15 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.01 -44.4 96.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.19 -39.12 84.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-O 122.361 1.077 . . . . 0.0 108.829 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.32 -45.63 90.41 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.602 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.32 -25.7 59.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.781 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.49 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' LYS . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.422 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.66 -34.76 77.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.1 -46.39 89.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.629 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.08 -16.92 60.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.323 0.582 . . . . 0.0 110.56 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -79.97 -5.24 55.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.764 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.57 32.8 2.21 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.991 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -119.65 151.61 38.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.16 0.48 . . . . 0.0 109.896 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.7 p -145.32 91.14 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.396 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.7 mp -93.92 106.34 18.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -93.58 47.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.68 0.5 89.9 Favored Glycine 0 CA--C 1.517 0.201 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.21 -39.9 94.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.032 -0.584 . . . . 0.0 110.032 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 26.25 74.4 Favored Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 0.0 111.187 179.122 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.38 -29.19 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.509 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.0 t -60.27 -39.85 88.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 109.902 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 65.52 -73.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.908 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 3' ' ' SER . 79.0 mt -123.17 123.5 26.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.69 -28.82 25.13 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.306 1.337 . . . . 0.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -69.25 -40.99 77.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HZ1' ' CD1' ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.64 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.602 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.692 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 ' CD1' ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.82 83.81 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -63.27 -41.46 99.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.024 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.7 -48.07 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.035 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.67 -41.86 86.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.98 98.72 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.531 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.6 tp -70.24 -43.42 70.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.692 0.758 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 50' ' ' THR . 4.1 tp -65.48 -49.19 69.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.87 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.99 -36.98 83.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.14 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -109.23 17.2 21.81 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -51.99 97.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.065 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.66 ' C ' HD21 ' A' ' 51' ' ' ASN . 0.2 OUTLIER 50.49 56.31 8.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.503 0.668 . . . . 0.0 111.12 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 1.1 pt? -69.21 -0.75 6.48 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.066 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 51' ' ' ASN . 42.5 mt -66.9 -19.44 65.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.88 -13.6 36.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.378 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.67 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.74 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -172.87 13.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 112.041 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.1 mp -102.33 171.17 7.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.066 0.46 . . . . 0.0 109.93 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -119.38 96.04 49.63 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.154 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.67 137.3 50.32 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.468 2.112 . . . . 0.0 112.791 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -125.87 -56.41 1.47 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.283 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.54 -39.19 97.0 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -61.12 -38.55 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.27 . . . . 0.0 110.722 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.28 -43.96 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.135 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -65.36 149.79 49.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.909 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.35 85.55 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.916 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -63.72 -37.02 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.843 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -157.76 27.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.92 132.52 50.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.2 mm -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -61.86 -39.69 92.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.971 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.47 -43.93 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 44.7 mt-10 -63.03 -45.47 92.18 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.254 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 58.8 t -62.12 -42.16 93.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -66.22 -48.91 69.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.908 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.29 77.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 73' ' ' VAL . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.534 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 90' ' ' THR . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.51 ' OD2' ' NH1' ' A' ' 111' ' ' ARG . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.434 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.585 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.53 -35.5 77.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -60.92 -45.87 92.92 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.356 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 8.9 ptm180 -73.76 -17.46 61.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.587 0.708 . . . . 0.0 110.143 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -72.74 -12.53 61.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.299 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.524 ' C ' ' HE ' ' A' ' 114' ' ' ARG . . . 112.16 32.39 2.4 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.28 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.524 ' HE ' ' C ' ' A' ' 113' ' ' GLY . 6.3 mmp_? -117.26 152.61 34.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.223 0.535 . . . . 0.0 111.06 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m 54.14 29.7 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.056 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.4 135.04 42.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.97 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.91 9.77 40.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.59 6.31 50.32 Favored Glycine 0 N--CA 1.464 0.548 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.34 102.82 2.66 Favored Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 118.029 -1.428 . . . . 0.0 111.093 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.01 -27.98 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.445 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 74.5 m -61.99 -39.9 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.409 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 3' ' ' SER . 25.7 tptt 80.17 -62.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' LYS . 4.3 tp 28.36 58.39 0.64 Allowed Pre-proline 0 N--CA 1.472 0.674 0 O-C-N 123.729 0.643 . . . . 0.0 111.654 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.05 -32.95 75.3 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.034 1.823 . . . . 0.0 112.529 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 41.6 t80 -60.86 -49.05 79.03 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.801 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HZ2' ' CD1' ' A' ' 32' ' ' ILE . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.646 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.614 ' H ' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' CD ' HE22 ' A' ' 28' ' ' GLN . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 HE22 ' CD ' ' A' ' 26' ' ' ARG . 79.1 mm-40 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' HD11 ' A' ' 35' ' ' LEU . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CD1' ' HZ2' ' A' ' 12' ' ' LYS . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 31' ' ' ALA . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -71.9 -42.76 66.35 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.48 -39.11 88.59 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.535 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.89 -48.8 75.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.66 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.86 -42.13 88.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.28 -40.64 99.24 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.64 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.38 -46.58 66.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.708 0.766 . . . . 0.0 110.387 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 50' ' ' THR . 4.0 tp -60.03 -49.76 76.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.512 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -63.84 -37.86 88.95 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.505 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ASN . 59.3 t-80 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.41 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 47' ' ' LEU . 37.2 p -64.48 68.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' HIS . 21.6 t30 -176.12 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 54' ' ' ALA . 96.1 mt -64.78 -38.48 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -46.58 -14.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.966 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -63.72 -42.44 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.477 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.75 -44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.59 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.55 -43.28 99.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 53' ' ' LEU . 88.2 mt -116.29 159.63 21.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.659 0.743 . . . . 0.0 111.078 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.76 91.62 29.09 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.71 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -54.66 132.77 53.45 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.354 2.036 . . . . 0.0 111.939 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.66 -41.42 96.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.968 0.413 . . . . 0.0 110.393 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.52 -11.06 64.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -63.87 -46.59 84.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.669 0.271 . . . . 0.0 111.445 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -116.97 16.12 15.12 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.375 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -74.38 123.25 24.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.082 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.85 -57.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.982 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.9 m 52.31 30.5 8.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.685 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.11 -41.84 99.59 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.34 86.89 2.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.214 0.53 . . . . 0.0 111.015 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.33 -42.74 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.731 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -61.94 -40.84 96.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.59 -44.69 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.827 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 75.8 mm-40 -62.28 -48.07 81.51 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.029 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.68 -41.34 91.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.499 0.666 . . . . 0.0 109.799 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -64.44 -49.35 71.84 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.619 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.66 64.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.5 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' O ' ' OG1' ' A' ' 90' ' ' THR . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.415 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.02 -35.82 81.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.683 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.581 ' C ' ' H ' ' A' ' 113' ' ' GLY . 32.9 mtp-105 -63.41 -35.76 81.5 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 122.621 1.2 . . . . 0.0 108.567 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.86 -0.78 1.16 Allowed 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.665 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.581 ' H ' ' C ' ' A' ' 111' ' ' ARG . . . 84.71 21.62 55.51 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.293 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 115' ' ' THR . 11.0 mmp_? -97.93 152.46 19.21 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 115' ' ' THR . 7.2 p 36.01 79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.653 . . . . 0.0 111.045 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 7.7 mp -61.52 -39.58 91.52 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.667 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.9 t80 71.55 36.34 1.3 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.258 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.63 3.33 90.64 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 116' ' ' LEU . 5.7 m-85 -62.37 -39.43 93.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.409 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.65 103.26 2.63 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 118.0 -1.444 . . . . 0.0 111.037 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.4 mm -62.49 -45.76 98.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -62.65 -42.06 99.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.624 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 13.1 mptt -65.83 -38.61 89.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.428 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 31.9 mt 56.9 55.07 7.89 Favored Pre-proline 0 C--O 1.239 0.546 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 42.4 Cg_endo -65.42 -27.96 54.51 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.528 2.152 . . . . 0.0 111.925 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.09 -44.06 93.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' CD ' HE22 ' A' ' 28' ' ' GLN . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 HE22 ' CD ' ' A' ' 26' ' ' ARG . 80.1 mm-40 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.66 -41.16 72.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.18 -41.34 99.2 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.35 -48.52 69.96 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.9 t -59.98 -41.42 86.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -62.94 -40.59 99.47 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 114.416 -1.265 . . . . 0.0 110.697 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.51 -45.24 65.98 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.766 0.793 . . . . 0.0 110.454 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.82 -49.11 78.79 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.526 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASN . 99.8 mt-10 -72.86 -27.15 61.75 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.193 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 63.1 m170 -94.73 -28.01 15.52 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -70.06 -28.03 65.11 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.418 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.3 p-10 -78.8 -14.68 59.13 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.375 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.47 -10.39 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' LEU . 88.1 mt -67.84 -32.41 72.92 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.45 23.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.255 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.53 -40.41 96.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.939 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -137.31 -28.31 0.93 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' LEU . 45.4 tp -102.62 135.88 43.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.289 0.566 . . . . 0.0 111.055 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.86 99.72 39.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.292 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -51.08 136.05 44.94 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.162 1.908 . . . . 0.0 112.216 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -151.15 169.54 21.63 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.181 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.41 18.38 79.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -60.64 -44.27 96.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.66 -22.94 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -84.59 103.43 13.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 65' ' ' ILE . 33.3 mm -100.93 92.76 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.517 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 p -116.53 -25.76 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.347 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.2 130.15 9.45 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 10.5 mp -68.25 118.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.073 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.0 mp -62.69 -43.29 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -63.07 -39.71 95.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.95 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.78 -44.83 93.72 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.244 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.01 -45.16 93.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.611 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.99 -39.66 86.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-O 122.017 0.913 . . . . 0.0 109.287 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -64.38 -44.89 89.93 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -27.45 63.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.636 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.542 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' O ' ' OG1' ' A' ' 90' ' ' THR . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' H ' ' HG1' ' A' ' 92' ' ' THR . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.01 -37.72 88.59 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.46 -46.19 90.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.43 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.53 -19.06 59.59 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.429 0.633 . . . . 0.0 110.439 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -65.28 -15.64 62.72 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.555 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.67 2.3 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.796 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.32 156.57 38.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.446 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m 72.76 2.99 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.202 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.46 147.99 47.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.879 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -98.26 9.39 43.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.49 2.37 35.18 Favored Glycine 0 N--CA 1.467 0.709 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.11 -39.29 94.25 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.6 101.93 2.68 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.028 -1.429 . . . . 0.0 111.023 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.8 pt -71.68 -12.79 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.702 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -61.46 -41.2 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.22 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 33.37 70.24 0.12 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.042 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 HG22 ' H ' ' A' ' 8' ' ' ALA . 41.2 mt 45.67 73.6 0.95 Allowed Pre-proline 0 C--O 1.235 0.292 0 CA-C-O 121.099 0.476 . . . . 0.0 110.519 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.83 -38.1 46.78 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.874 2.382 . . . . 0.0 112.121 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -59.04 -45.07 91.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.13 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 5' ' ' ILE . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 12' ' ' LYS . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.626 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' C ' HE22 ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.727 ' N ' ' CD ' ' A' ' 28' ' ' GLN . 9.8 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 35' ' ' LEU . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.89 -41.92 70.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.38 -38.59 90.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.807 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.87 -51.45 64.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.736 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.0 -40.27 62.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 49' ' ' HIS . . . -63.51 -42.66 98.88 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.592 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.29 -47.46 76.55 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.844 0.83 . . . . 0.0 109.879 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 50' ' ' THR . 2.0 tp -59.71 -48.77 80.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.075 -1.42 . . . . 0.0 109.295 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 9.3 mm-40 -62.76 -37.7 87.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.209 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 45' ' ' GLY . 52.4 m-70 -69.44 -32.5 71.48 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.818 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 47' ' ' LEU . 26.3 p -71.6 19.57 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.203 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.544 ' H ' ' C ' ' A' ' 49' ' ' HIS . 3.3 p30 -83.3 4.81 25.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.835 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.3 -10.47 16.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 51' ' ' ASN . 81.0 mt -65.93 -27.77 68.42 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.374 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -63.48 -8.27 8.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.051 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.2 20.36 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.461 ' H ' ' C ' ' A' ' 54' ' ' ALA . 64.1 t60 67.88 45.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.547 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.38 156.88 18.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.043 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.84 97.54 49.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.991 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.23 123.07 5.93 Favored 'Trans proline' 0 C--N 1.315 -1.213 0 C-N-CA 120.692 0.928 . . . . 0.0 110.424 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -71.0 -40.95 71.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.052 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.67 2.09 79.65 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -139.65 -70.19 0.4 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.09 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 44.27 56.12 5.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.297 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.32 48.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.319 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.2 m -60.96 -40.59 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.997 0.427 . . . . 0.0 110.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.19 -174.84 13.86 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.5 mt -93.51 102.67 14.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.047 0.451 . . . . 0.0 110.432 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.46 -42.57 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.0 -42.1 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.993 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -43.71 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.872 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -46.5 88.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.063 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.1 t -64.83 -39.35 85.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 122.001 0.905 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -44.81 94.41 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.631 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.98 -27.14 62.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.761 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.504 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' OG1' ' A' ' 90' ' ' THR . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.516 ' HG1' ' H ' ' A' ' 93' ' ' GLU . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.516 ' H ' ' HG1' ' A' ' 92' ' ' THR . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.48 ' HG1' ' H ' ' A' ' 104' ' ' ASP . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.48 ' H ' ' HG1' ' A' ' 101' ' ' THR . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.72 -38.8 90.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.86 -45.82 91.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.256 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -74.68 -20.17 59.98 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.537 0.684 . . . . 0.0 110.268 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.28 -13.39 58.31 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.55 20.74 8.77 Favored Glycine 0 N--CA 1.466 0.658 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.744 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' THR . 15.0 mmm180 -80.67 -72.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER 30.8 75.33 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.506 0.669 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -63.73 -38.13 89.97 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.506 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.1 t80 57.12 31.51 20.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.52 6.31 85.94 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -98.85 8.06 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.98 103.95 2.91 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.942 -1.477 . . . . 0.0 111.046 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.39 -45.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.25 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.65 -39.24 90.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -70.23 150.46 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.446 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 pt -135.54 70.45 66.59 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.04 -38.2 79.95 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.078 2.518 . . . . 0.0 112.263 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.71 -45.61 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.603 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.638 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.603 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.638 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.46 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -65.02 -38.35 90.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.09 -44.35 96.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.228 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.51 -41.39 81.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.46 99.12 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.86 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.611 ' O ' ' N ' ' A' ' 50' ' ' THR . 41.2 tp -69.97 -42.35 73.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 122.073 0.94 . . . . 0.0 110.294 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -63.51 -48.1 78.98 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.439 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.37 -37.61 71.6 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 51' ' ' ASN . 99.1 m-70 -100.47 -39.45 7.94 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 46' ' ' LEU . 38.3 p 49.88 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.715 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.593 ' C ' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 72.29 10.54 5.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.976 0.417 . . . . 0.0 110.658 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.575 ' C ' ' H ' ' A' ' 54' ' ' ALA . 7.4 mp -63.66 10.61 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.71 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.593 ' H ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -56.34 -9.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.162 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.575 ' H ' ' C ' ' A' ' 52' ' ' LEU . . . -60.64 -42.82 97.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.925 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.77 -44.8 5.68 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.631 0.253 . . . . 0.0 111.325 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -67.82 -41.18 83.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.826 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' LEU . 11.0 mp -110.87 167.52 10.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -115.49 93.77 37.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.469 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.43 148.54 51.65 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.634 2.223 . . . . 0.0 111.974 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -63.38 148.27 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.3 -7.64 77.99 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 53.85 76.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 65' ' ' ILE . 98.3 mttt -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.02 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 46.11 14.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LYS . 80.4 mt -61.83 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.967 -0.458 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.42 150.14 50.53 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.55 123.02 18.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.426 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.5 -45.05 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.26 -45.69 90.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.06 -43.75 91.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.109 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.46 -42.06 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.688 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 54.8 t -61.07 -37.27 76.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.274 1.035 . . . . 0.0 109.431 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -71.03 -46.73 61.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.338 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.52 -26.14 59.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.27 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 73' ' ' VAL . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 84' ' ' VAL . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 89' ' ' VAL . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.433 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.64 -37.53 79.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.12 -43.35 99.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.929 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -74.97 -21.25 59.28 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.572 0.701 . . . . 0.0 110.752 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -76.76 -9.29 58.57 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.229 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.38 17.53 8.13 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.843 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' HG3' ' H ' ' A' ' 115' ' ' THR . 5.2 tpt180 -102.16 174.25 6.01 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.173 0.511 . . . . 0.0 110.476 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.42 ' H ' ' HG3' ' A' ' 114' ' ' ARG . 1.9 m 60.36 30.06 19.51 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.847 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.51 136.01 36.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.098 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -102.72 9.81 38.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.79 6.23 52.68 Favored Glycine 0 N--CA 1.463 0.484 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.54 -39.31 93.19 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.74 104.03 2.5 Favored Glycine 0 CA--C 1.511 -0.203 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.052 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.9 pt -72.4 -13.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.763 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.262 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -84.75 -10.08 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 5' ' ' ILE . 17.0 tt 39.19 70.49 1.36 Allowed Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 122.353 1.073 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.22 -34.97 50.98 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -60.92 -44.31 97.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.734 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HZ2' ' CD1' ' A' ' 32' ' ' ILE . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.569 ' C ' ' H ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' CD ' HE22 ' A' ' 28' ' ' GLN . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.46 HE22 ' CD ' ' A' ' 26' ' ' ARG . 80.2 mm-40 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 ' CD1' ' HZ2' ' A' ' 12' ' ' LYS . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.69 91.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.13 -42.57 95.08 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.046 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.18 -44.82 87.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.076 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.8 t -58.8 -41.57 83.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 49' ' ' HIS . . . -64.17 -41.81 98.22 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.733 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.81 -46.65 77.83 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.916 0.865 . . . . 0.0 109.722 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' OG1' ' A' ' 50' ' ' THR . 2.0 tp -57.83 -48.36 80.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.157 -1.383 . . . . 0.0 108.708 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.82 -37.55 84.84 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.101 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CD2' ' O ' ' A' ' 45' ' ' GLY . 69.2 m-70 -67.19 -37.41 83.62 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.111 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 47' ' ' LEU . 61.7 p -70.4 -11.97 61.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -59.82 -38.1 81.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.609 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.27 -22.33 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -61.98 -7.77 4.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.08 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 90.2 mt -72.82 20.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.733 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 54' ' ' ALA . 4.9 t-160 82.78 37.06 0.05 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 57' ' ' LEU . 9.1 mp -97.95 171.35 8.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.45 94.62 48.85 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.489 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.04 140.37 70.11 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.508 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' O ' ' CD1' ' A' ' 65' ' ' ILE . 3.3 mmp_? -93.9 74.43 4.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.825 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.17 6.22 81.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -136.86 -167.46 2.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.834 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 65' ' ' ILE . 71.9 mmtt 64.77 26.24 12.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 66' ' ' SER . 40.8 ttp180 67.92 -36.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.433 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.535 ' H ' ' C ' ' A' ' 63' ' ' LYS . 37.3 mt 67.95 -19.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 O-C-N 123.266 0.354 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.582 ' H ' ' C ' ' A' ' 64' ' ' ARG . 10.2 m 56.26 7.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.376 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . -117.39 137.53 13.41 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.09 102.73 14.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.151 0.501 . . . . 0.0 110.327 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.41 -42.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.856 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -61.76 -39.34 91.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.922 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.29 -45.69 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.242 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 98.2 mt-10 -62.57 -48.35 79.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.571 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.99 -41.98 94.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.608 0.718 . . . . 0.0 109.243 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -63.84 -50.18 69.91 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.069 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 72' ' ' GLU . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.54 ' CE1' ' CG2' ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.54 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 90' ' ' THR . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.534 ' HG1' ' N ' ' A' ' 93' ' ' GLU . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' N ' ' HG1' ' A' ' 92' ' ' THR . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 98' ' ' LYS . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.07 -37.81 81.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' A' ' 115' ' ' THR . 65.3 tttp -60.33 -46.62 89.27 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.214 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -72.93 -19.51 61.24 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 121.342 0.592 . . . . 0.0 110.11 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.38 -10.67 45.74 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.39 15.8 22.21 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.891 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -67.19 -47.64 70.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -162.28 100.37 1.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.256 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.609 ' H ' ' CD2' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -105.15 -17.74 14.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.114 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.5 t80 64.01 28.54 14.37 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.406 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.73 87.72 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -111.08 23.23 14.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.69 0.281 . . . . 0.0 111.364 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.02 103.39 2.35 Favored Glycine 0 N--CA 1.459 0.186 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.81 0 CA-C-O 118.012 -1.438 . . . . 0.0 111.191 179.806 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.724 0.297 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' HD13 ' A' ' 81' ' ' LEU . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 19' ' ' THR . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' A' ' 25' ' ' LEU . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.492 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' THR . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 85' ' ' ILE . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' SER . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.492 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.464 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 77' ' ' LEU . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 92' ' ' THR . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 88' ' ' SER . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 35' ' ' LEU . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.519 ' OG1' HD13 ' A' ' 81' ' ' LEU . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.433 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 11' ' ' VAL . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.856 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 ' OG1' ' A' ' 15' ' ' THR . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 92' ' ' THR . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 85' ' ' ILE . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' SER . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.796 0.331 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' THR . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.838 HG22 HD13 ' A' ' 81' ' ' LEU . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD13 HG22 ' A' ' 15' ' ' THR . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 92' ' ' THR . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.435 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 88' ' ' SER . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 92' ' ' THR . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 35' ' ' LEU . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.62 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.69 HE22 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 11' ' ' VAL . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.441 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 92' ' ' THR . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 88' ' ' SER . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.468 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.69 ' C ' HE22 ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' NE2' ' A' ' 28' ' ' GLN . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 11' ' ' VAL . 41.6 t80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 7' ' ' PHE . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.486 ' OG1' HD13 ' A' ' 81' ' ' LEU . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' H ' ' H ' ' A' ' 25' ' ' LEU . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.865 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.486 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 92' ' ' THR . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 88' ' ' SER . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.458 HG21 ' HB1' ' A' ' 34' ' ' ALA . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 81' ' ' LEU . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.602 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.454 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' THR . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 85' ' ' ILE . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' SER . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.499 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.461 HG11 ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 35' ' ' LEU . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.82 HG22 HD13 ' A' ' 81' ' ' LEU . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.579 ' C ' ' N ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' H ' ' H ' ' A' ' 25' ' ' LEU . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.871 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 2.7 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 11' ' ' VAL . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 15' ' ' THR . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' THR . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' ILE . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' SER . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLN . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.627 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.851 0.358 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.839 ' O ' HG23 ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' OG1' ' A' ' 15' ' ' THR . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.473 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 92' ' ' THR . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 88' ' ' SER . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.536 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 ' HB1' ' A' ' 34' ' ' ALA . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.458 0.17 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.419 ' OG1' HD13 ' A' ' 81' ' ' LEU . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.487 ' H ' ' HA ' ' A' ' 99' ' ' THR . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 11' ' ' VAL . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 77' ' ' LEU . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 89' ' ' VAL . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 92' ' ' THR . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 85' ' ' ILE . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 88' ' ' SER . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.487 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' LYS . 62.6 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.96 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.329 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.84 -39.4 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' LEU . 64.8 tttp -138.75 132.41 30.66 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.55 HG12 ' H ' ' A' ' 8' ' ' ALA . 11.3 tt -122.57 85.11 48.53 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 121.59 0.71 . . . . 0.0 110.711 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -53.89 -38.21 85.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 123.018 2.479 . . . . 0.0 113.718 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.76 -46.98 87.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.88 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 5' ' ' ILE . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' HD13 ' A' ' 81' ' ' LEU . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 19' ' ' THR . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' A' ' 25' ' ' LEU . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.99 79.64 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' OH ' HG11 ' A' ' 76' ' ' VAL . 52.7 t80 -62.72 -42.59 99.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.187 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.81 -46.6 81.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.474 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 40' ' ' GLU . 61.4 t -59.63 -41.23 84.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.26 -40.72 99.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.453 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 50' ' ' THR . 53.8 tp -69.2 -46.63 66.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.749 0.785 . . . . 0.0 110.31 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.24 -50.0 74.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.77 -37.07 86.0 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.578 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.8 m170 -66.73 -38.69 87.17 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.164 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 46' ' ' LEU . 70.1 p -69.08 -29.28 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.693 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 43.1 t30 -62.42 -39.52 93.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.108 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.73 -33.92 76.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.881 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' LEU . 81.8 mt -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 51' ' ' ASN . . . -59.68 -19.61 50.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.937 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -40.99 96.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.17 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -142.01 -21.24 0.71 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.203 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 53' ' ' LEU . 83.4 mt -100.13 160.01 14.66 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.349 0.595 . . . . 0.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -124.48 96.23 41.68 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.543 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.28 140.42 52.23 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 122.392 2.061 . . . . 0.0 112.264 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -83.15 84.85 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.007 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.28 -39.82 97.74 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.35 153.69 26.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.702 0.287 . . . . 0.0 110.762 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ILE . 56.9 mtpt 56.69 53.59 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.066 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.64 68.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' LYS . 59.8 mt -123.52 99.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.887 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -161.43 72.64 0.42 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.536 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . 70.41 30.11 69.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 2.8 mm? 47.99 106.31 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.355 0.598 . . . . 0.0 110.609 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.61 -41.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.09 -42.46 98.55 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.897 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.33 -45.74 91.86 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' VAL . 96.6 mt-10 -61.77 -46.43 89.63 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.905 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 66.3 t -62.16 -42.43 95.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.249 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.32 -49.76 68.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.934 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.7 -34.41 78.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 72' ' ' GLU . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 73' ' ' VAL . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' THR . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 85' ' ' ILE . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' SER . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.492 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.33 -38.11 89.88 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.77 -46.29 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.961 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.47 -19.05 59.66 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.397 0.618 . . . . 0.0 110.517 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.4 -13.25 62.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.122 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 24.34 5.12 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.469 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' C ' HG23 ' A' ' 115' ' ' THR . 20.6 mmm180 -101.96 155.23 18.29 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.591 HG23 ' C ' ' A' ' 114' ' ' ARG . 1.5 p 73.48 -22.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.574 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 114' ' ' ARG . 9.2 mp 47.44 23.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.517 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.482 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 31.7 t80 50.56 12.75 0.11 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 116' ' ' LEU . . . 85.38 3.9 86.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.81 -39.44 94.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.72 104.66 2.67 Favored Glycine 0 C--N 1.328 0.133 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.982 -1.455 . . . . 0.0 111.201 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -62.83 -28.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -61.05 -43.67 98.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -64.96 140.39 58.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.149 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 8' ' ' ALA . 63.0 mt -113.57 95.79 37.84 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.996 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.8 -37.89 66.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.405 2.07 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.689 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' ILE . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.464 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.23 -42.04 69.41 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.602 ' CZ ' HG11 ' A' ' 76' ' ' VAL . 50.2 t80 -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.763 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.77 -47.13 82.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.638 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' GLU . 70.7 t -59.28 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.72 98.82 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.898 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 50' ' ' THR . 55.7 tp -70.28 -44.66 67.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.769 0.795 . . . . 0.0 110.645 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.38 -50.3 74.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.804 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.71 -38.53 83.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.034 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.65 -45.52 82.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.701 HG23 ' N ' ' A' ' 51' ' ' ASN . 7.3 t -94.69 -145.35 0.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.04 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.701 ' N ' HG23 ' A' ' 50' ' ' THR . 4.0 t30 62.11 -4.46 0.2 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 50' ' ' THR . 86.8 mt -74.39 -11.93 60.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.35 -26.5 68.05 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.58 -8.18 4.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.35 13.39 5.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.986 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 t60 67.3 46.22 1.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -89.41 163.93 15.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.145 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -121.49 96.16 47.82 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.546 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.95 139.85 40.48 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.445 2.097 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -86.73 -2.0 58.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 1.63 90.12 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.4 m -68.68 -18.17 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.065 -0.567 . . . . 0.0 110.626 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -124.32 106.98 10.68 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH12 ' HB2' ' A' ' 66' ' ' SER . 74.2 ttt-85 -75.59 127.56 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.61 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.548 HD12 ' H ' ' A' ' 65' ' ' ILE . 1.3 mp -90.25 -37.55 9.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.0 p 77.33 -23.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . 90.1 -10.17 74.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' OE1' ' A' ' 71' ' ' GLU . 63.6 mt -108.2 91.43 3.64 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.052 0.454 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.71 -42.42 96.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.437 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' A' ' 68' ' ' LEU . 88.6 tt0 -59.88 -45.33 92.83 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.761 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 65' ' ' ILE . 97.7 mt-10 -62.43 -44.0 97.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.35 0.595 . . . . 0.0 110.58 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.03 -38.03 80.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 CA-C-O 122.253 1.025 . . . . 0.0 109.638 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.64 -48.34 82.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.664 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.25 59.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.894 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG11 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 77' ' ' LEU . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 92' ' ' THR . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 88' ' ' SER . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.48 -37.48 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.15 -46.33 90.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.41 -19.75 61.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.379 0.609 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.82 -5.05 54.68 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.881 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.82 34.22 1.9 Allowed Glycine 0 N--CA 1.472 1.091 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.343 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -121.37 155.99 33.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.263 0.532 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 m 56.26 32.8 21.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.241 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 150.4 25.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.683 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.4 6.68 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.16 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 91.51 -3.65 79.08 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.36 7.45 35.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.92 3.21 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.052 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.31 -43.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 74.5 m -60.8 -38.94 87.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' SER . 67.7 mttm 57.43 117.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 pt -128.43 58.72 36.88 Favored Pre-proline 0 C--O 1.233 0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.03 -31.26 66.06 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.382 2.055 . . . . 0.0 112.116 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.35 -41.08 81.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 35' ' ' LEU . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.519 ' OG1' HD13 ' A' ' 81' ' ' LEU . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.433 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 11' ' ' VAL . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 44' ' ' VAL . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.61 -41.89 71.67 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.55 -40.34 92.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.78 -48.22 77.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.444 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 40' ' ' GLU . 67.3 t -59.78 -41.82 86.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.83 -40.55 99.37 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.657 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.876 ' O ' HG22 ' A' ' 50' ' ' THR . 56.0 tp -70.02 -46.04 65.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.645 0.736 . . . . 0.0 110.56 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.77 -50.21 74.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.681 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.56 -37.16 84.37 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.157 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.28 -46.02 85.48 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.392 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 46' ' ' LEU . 3.8 t -90.29 97.09 10.98 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -178.31 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.49 -14.89 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 111.164 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 57' ' ' LEU . 82.3 mt -63.04 -34.53 77.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -20.5 54.14 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.848 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.05 -40.84 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -131.78 -30.31 1.63 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.777 0.323 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 53' ' ' LEU . 4.3 mm? -96.13 165.26 12.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.329 0.585 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.34 97.28 40.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.918 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -51.31 136.71 47.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.293 1.995 . . . . 0.0 112.761 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -112.72 22.33 14.64 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.57 20.81 16.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m -60.8 -38.23 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.701 0.286 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 65' ' ' ILE . 62.9 mttp -60.5 -36.95 79.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.025 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.9 -4.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 63' ' ' LYS . 42.4 pt -114.47 7.86 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 117.989 0.359 . . . . 0.0 111.066 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -61.49 -40.33 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.189 0.519 . . . . 0.0 109.895 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.91 165.24 27.72 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 68' ' ' LEU . 8.4 mp -77.81 105.9 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.044 0.45 . . . . 0.0 110.295 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 69' ' ' ILE . 3.8 mp -62.35 -42.1 94.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.24 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.98 -40.57 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.048 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.8 -45.41 92.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.984 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 76' ' ' VAL . 98.0 mt-10 -62.87 -47.52 82.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.591 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.81 -41.95 94.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.384 0.611 . . . . 0.0 109.841 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.65 -49.08 72.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.6 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.66 -28.69 66.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 72' ' ' GLU . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.856 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 ' OG1' ' A' ' 15' ' ' THR . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 92' ' ' THR . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 85' ' ' ILE . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' SER . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.49 -37.95 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.39 -46.21 90.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -72.53 -17.98 61.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.558 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.21 -3.55 40.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.011 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.6 11.77 20.57 Favored Glycine 0 N--CA 1.47 0.916 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.385 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 115' ' ' THR . 15.8 mmp_? -90.94 156.49 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 114' ' ' ARG . 0.7 OUTLIER 83.77 -27.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' THR . 8.2 mp 54.97 114.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.104 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -67.92 -27.16 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.373 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.27 6.18 3.16 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.75 -39.61 92.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.839 0.352 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.89 101.99 2.63 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.123 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -82.05 -2.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.792 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -60.75 -43.89 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt 44.93 -131.02 0.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.232 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -89.2 121.1 69.78 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.24 -34.0 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.046 1.164 . . . . 0.0 111.784 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -62.03 -46.3 89.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.376 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' THR . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.838 HG22 HD13 ' A' ' 81' ' ' LEU . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.91 82.6 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 76' ' ' VAL . 45.5 t80 -63.44 -40.81 98.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.55 -45.91 85.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.092 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' GLU . 62.1 t -59.35 -41.39 84.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.15 -40.51 99.24 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.624 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 50' ' ' THR . 51.1 tp -69.15 -45.02 71.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.643 0.735 . . . . 0.0 110.215 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.34 -50.37 73.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.33 -37.3 85.05 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.244 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.5 m170 -66.64 -38.44 86.9 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.124 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 46' ' ' LEU . 8.5 t -104.11 -165.8 1.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.578 0.228 . . . . 0.0 110.467 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.54 -28.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.11 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.579 ' H ' ' C ' ' A' ' 50' ' ' THR . 88.7 mt -76.41 -11.39 59.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 109.846 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 57' ' ' LEU . 80.4 mt -63.56 -29.81 71.01 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.97 60.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.518 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.46 -41.18 98.58 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.168 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -136.9 -28.45 0.96 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 53' ' ' LEU . 11.0 mp -98.18 162.28 13.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.038 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -124.99 96.77 39.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -53.41 138.23 65.27 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.192 1.928 . . . . 0.0 112.347 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -111.28 57.53 0.63 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.13 97.73 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.6 m -78.02 102.03 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.553 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -178.47 -77.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -160.61 127.25 4.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.01 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -145.88 78.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.73 0.3 . . . . 0.0 110.655 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -69.59 -23.47 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.644 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.89 149.67 44.96 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -97.66 114.56 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.342 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.97 -43.68 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.941 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -59.48 -45.58 91.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.433 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -59.83 -43.69 94.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.951 0.405 . . . . 0.0 110.15 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.01 -44.4 96.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.19 -39.12 84.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-O 122.361 1.077 . . . . 0.0 108.829 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.32 -45.63 90.41 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.602 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.32 -25.7 59.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.781 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.519 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD13 HG22 ' A' ' 15' ' ' THR . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 92' ' ' THR . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.435 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 88' ' ' SER . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 92' ' ' THR . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 114' ' ' ARG . 5.2 mt -67.66 -34.76 77.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.1 -46.39 89.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.629 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.08 -16.92 60.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.323 0.582 . . . . 0.0 110.56 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -79.97 -5.24 55.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.764 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.57 32.8 2.21 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.991 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' HG3' HD22 ' A' ' 109' ' ' LEU . 21.1 mmm180 -119.65 151.61 38.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.16 0.48 . . . . 0.0 109.896 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.7 p -145.32 91.14 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.396 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.7 mp -93.92 106.34 18.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -93.58 47.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.68 0.5 89.9 Favored Glycine 0 CA--C 1.517 0.201 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.21 -39.9 94.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.032 -0.584 . . . . 0.0 110.032 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 26.25 74.4 Favored Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 0.0 111.187 179.122 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.38 -29.19 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.509 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.0 t -60.27 -39.85 88.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 109.902 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 65.52 -73.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.908 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 3' ' ' SER . 79.0 mt -123.17 123.5 26.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.69 -28.82 25.13 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.306 1.337 . . . . 0.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -69.25 -40.99 77.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 35' ' ' LEU . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.62 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.69 HE22 ' C ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 11' ' ' VAL . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.82 83.81 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -63.27 -41.46 99.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.024 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.7 -48.07 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.035 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 40' ' ' GLU . 59.8 t -59.67 -41.86 86.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.98 98.72 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.531 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.6 tp -70.24 -43.42 70.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.692 0.758 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 50' ' ' THR . 4.1 tp -65.48 -49.19 69.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.87 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.99 -36.98 83.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.14 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -109.23 17.2 21.81 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -51.99 97.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.065 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 51' ' ' ASN . 41.7 t-20 50.49 56.31 8.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.503 0.668 . . . . 0.0 111.12 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 pt? -69.21 -0.75 6.48 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.066 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 51' ' ' ASN . 42.5 mt -66.9 -19.44 65.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.88 -13.6 36.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.378 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.67 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.74 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -172.87 13.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 112.041 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 57' ' ' LEU . 11.1 mp -102.33 171.17 7.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.066 0.46 . . . . 0.0 109.93 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -119.38 96.04 49.63 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.154 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.67 137.3 50.32 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.468 2.112 . . . . 0.0 112.791 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -125.87 -56.41 1.47 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.283 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.54 -39.19 97.0 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -61.12 -38.55 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.27 . . . . 0.0 110.722 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.28 -43.96 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.135 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -65.36 149.79 49.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.909 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.35 85.55 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.916 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -63.72 -37.02 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.843 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -157.76 27.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.92 132.52 50.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.2 mm -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -61.86 -39.69 92.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.971 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.47 -43.93 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.7 mt-10 -63.03 -45.47 92.18 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.254 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 58.8 t -62.12 -42.16 93.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -66.22 -48.91 69.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.908 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.29 77.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 72' ' ' GLU . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.441 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.51 ' OD2' ' NH1' ' A' ' 111' ' ' ARG . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 92' ' ' THR . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 88' ' ' SER . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.468 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.69 ' C ' HE22 ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.613 HG22 ' NE2' ' A' ' 28' ' ' GLN . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.53 -35.5 77.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -60.92 -45.87 92.92 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.356 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 8.9 ptm180 -73.76 -17.46 61.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.587 0.708 . . . . 0.0 110.143 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -72.74 -12.53 61.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.299 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' C ' ' HE ' ' A' ' 114' ' ' ARG . . . 112.16 32.39 2.4 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.28 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.562 ' HE ' ' C ' ' A' ' 113' ' ' GLY . 6.3 mmp_? -117.26 152.61 34.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.223 0.535 . . . . 0.0 111.06 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m 54.14 29.7 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.056 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.4 135.04 42.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.97 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.91 9.77 40.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.59 6.31 50.32 Favored Glycine 0 N--CA 1.464 0.548 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.34 102.82 2.66 Favored Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 118.029 -1.428 . . . . 0.0 111.093 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.01 -27.98 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.445 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 74.5 m -61.99 -39.9 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.409 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 3' ' ' SER . 25.7 tptt 80.17 -62.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 5' ' ' ILE . 4.3 tp 28.36 58.39 0.64 Allowed Pre-proline 0 N--CA 1.472 0.674 0 O-C-N 123.729 0.643 . . . . 0.0 111.654 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.05 -32.95 75.3 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.034 1.823 . . . . 0.0 112.529 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 11' ' ' VAL . 41.6 t80 -60.86 -49.05 79.03 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.801 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 7' ' ' PHE . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.486 ' OG1' HD13 ' A' ' 81' ' ' LEU . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' H ' ' H ' ' A' ' 25' ' ' LEU . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -71.9 -42.76 66.35 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.48 -39.11 88.59 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.535 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.89 -48.8 75.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.66 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' GLU . 71.4 t -59.86 -42.13 88.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.28 -40.64 99.24 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.64 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 50' ' ' THR . 53.8 tp -69.38 -46.58 66.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.708 0.766 . . . . 0.0 110.387 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.03 -49.76 76.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.512 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -63.84 -37.86 88.95 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.505 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ASN . 59.3 t-80 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.41 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 46' ' ' LEU . 37.2 p -64.48 68.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' HIS . 21.6 t30 -176.12 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 54' ' ' ALA . 96.1 mt -64.78 -38.48 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -46.58 -14.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.966 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.764 ' N ' HD12 ' A' ' 53' ' ' LEU . . . -63.72 -42.44 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.477 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.75 -44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.59 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.55 -43.28 99.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 53' ' ' LEU . 88.2 mt -116.29 159.63 21.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.659 0.743 . . . . 0.0 111.078 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.4 p -132.76 91.62 29.09 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.71 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -54.66 132.77 53.45 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.354 2.036 . . . . 0.0 111.939 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.66 -41.42 96.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.968 0.413 . . . . 0.0 110.393 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.52 -11.06 64.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -63.87 -46.59 84.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.669 0.271 . . . . 0.0 111.445 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -116.97 16.12 15.12 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.375 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -74.38 123.25 24.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.082 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.85 -57.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.982 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.9 m 52.31 30.5 8.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.685 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.11 -41.84 99.59 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.34 86.89 2.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.214 0.53 . . . . 0.0 111.015 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.33 -42.74 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.731 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -61.94 -40.84 96.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.59 -44.69 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.827 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.8 mm-40 -62.28 -48.07 81.51 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.029 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.68 -41.34 91.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.499 0.666 . . . . 0.0 109.799 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -64.44 -49.35 71.84 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.619 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.66 64.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 72' ' ' GLU . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.865 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.486 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 92' ' ' THR . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 88' ' ' SER . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.458 HG21 ' HB1' ' A' ' 34' ' ' ALA . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.02 -35.82 81.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.683 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 113' ' ' GLY . 32.9 mtp-105 -63.41 -35.76 81.5 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 122.621 1.2 . . . . 0.0 108.567 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.86 -0.78 1.16 Allowed 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.665 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 111' ' ' ARG . . . 84.71 21.62 55.51 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.293 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 115' ' ' THR . 11.0 mmp_? -97.93 152.46 19.21 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 114' ' ' ARG . 7.2 p 36.01 79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.653 . . . . 0.0 111.045 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.7 mp -61.52 -39.58 91.52 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.667 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.9 t80 71.55 36.34 1.3 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.258 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.63 3.33 90.64 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 116' ' ' LEU . 5.7 m-85 -62.37 -39.43 93.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.409 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.65 103.26 2.63 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 118.0 -1.444 . . . . 0.0 111.037 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.4 mm -62.49 -45.76 98.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -62.65 -42.06 99.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.624 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 13.1 mptt -65.83 -38.61 89.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.9 mt 56.9 55.07 7.89 Favored Pre-proline 0 C--O 1.239 0.546 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 42.4 Cg_endo -65.42 -27.96 54.51 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.528 2.152 . . . . 0.0 111.925 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.09 -44.06 93.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 81' ' ' LEU . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.602 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.66 -41.16 72.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' OH ' HG11 ' A' ' 76' ' ' VAL . 53.2 t80 -63.18 -41.34 99.2 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.35 -48.52 69.96 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 40' ' ' GLU . 62.9 t -59.98 -41.42 86.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -62.94 -40.59 99.47 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 114.416 -1.265 . . . . 0.0 110.697 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 50' ' ' THR . 54.1 tp -70.51 -45.24 65.98 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.766 0.793 . . . . 0.0 110.454 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.82 -49.11 78.79 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.526 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASN . 99.8 mt-10 -72.86 -27.15 61.75 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.193 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 63.1 m170 -94.73 -28.01 15.52 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 46' ' ' LEU . 14.7 t -70.06 -28.03 65.11 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.418 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.3 p-10 -78.8 -14.68 59.13 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.375 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.47 -10.39 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' LEU . 88.1 mt -67.84 -32.41 72.92 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.45 23.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.255 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.53 -40.41 96.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.939 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -137.31 -28.31 0.93 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' LEU . 45.4 tp -102.62 135.88 43.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.289 0.566 . . . . 0.0 111.055 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.86 99.72 39.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.292 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -51.08 136.05 44.94 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.162 1.908 . . . . 0.0 112.216 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -151.15 169.54 21.63 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.181 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.41 18.38 79.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -60.64 -44.27 96.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.66 -22.94 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -84.59 103.43 13.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mm -100.93 92.76 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.517 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 p -116.53 -25.76 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.347 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.2 130.15 9.45 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 mp -68.25 118.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.073 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.0 mp -62.69 -43.29 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -63.07 -39.71 95.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.95 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.78 -44.83 93.72 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.244 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.01 -45.16 93.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.611 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.99 -39.66 86.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-O 122.017 0.913 . . . . 0.0 109.287 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -64.38 -44.89 89.93 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -27.45 63.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.636 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.57 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.454 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' THR . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 85' ' ' ILE . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' SER . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.499 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.461 HG11 ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.01 -37.72 88.59 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.46 -46.19 90.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.43 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.53 -19.06 59.59 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.429 0.633 . . . . 0.0 110.439 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -65.28 -15.64 62.72 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.555 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.67 2.3 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.796 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.32 156.57 38.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.446 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m 72.76 2.99 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.202 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.3 mp -62.46 147.99 47.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.879 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -98.26 9.39 43.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.49 2.37 35.18 Favored Glycine 0 N--CA 1.467 0.709 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.11 -39.29 94.25 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.6 101.93 2.68 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.028 -1.429 . . . . 0.0 111.023 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.8 pt -71.68 -12.79 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.702 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -61.46 -41.2 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.22 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 33.37 70.24 0.12 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.042 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 8' ' ' ALA . 41.2 mt 45.67 73.6 0.95 Allowed Pre-proline 0 C--O 1.235 0.292 0 CA-C-O 121.099 0.476 . . . . 0.0 110.519 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 10' ' ' LEU . 86.1 Cg_exo -49.83 -38.1 46.78 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.874 2.382 . . . . 0.0 112.121 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -59.04 -45.07 91.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.13 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 5' ' ' ILE . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 6' ' ' PRO . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 35' ' ' LEU . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.82 HG22 HD13 ' A' ' 81' ' ' LEU . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.579 ' C ' ' N ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' H ' ' H ' ' A' ' 25' ' ' LEU . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.871 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 2.7 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 11' ' ' VAL . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' GLU . . . -70.89 -41.92 70.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 76' ' ' VAL . 32.1 t80 -65.38 -38.59 90.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.807 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.87 -51.45 64.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.736 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.0 -40.27 62.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.51 -42.66 98.88 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.592 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 50' ' ' THR . 56.1 tp -65.29 -47.46 76.55 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.844 0.83 . . . . 0.0 109.879 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.71 -48.77 80.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.075 -1.42 . . . . 0.0 109.295 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.76 -37.7 87.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.209 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.508 ' C ' ' H ' ' A' ' 51' ' ' ASN . 21.7 m80 -69.44 -32.5 71.48 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.818 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 46' ' ' LEU . 26.3 p -71.6 19.57 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.203 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.508 ' H ' ' C ' ' A' ' 49' ' ' HIS . 7.4 p-10 -83.3 4.81 25.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.835 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.3 -10.47 16.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.93 -27.77 68.42 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.374 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -63.48 -8.27 8.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.051 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.2 20.36 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' ALA . 64.1 t60 67.88 45.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.547 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.38 156.88 18.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.043 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.84 97.54 49.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.991 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.23 123.07 5.93 Favored 'Trans proline' 0 C--N 1.315 -1.213 0 C-N-CA 120.692 0.928 . . . . 0.0 110.424 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -71.0 -40.95 71.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.052 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.67 2.09 79.65 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -139.65 -70.19 0.4 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.09 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 44.27 56.12 5.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.297 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.32 48.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.319 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.2 m -60.96 -40.59 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.997 0.427 . . . . 0.0 110.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.19 -174.84 13.86 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.5 mt -93.51 102.67 14.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.047 0.451 . . . . 0.0 110.432 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.46 -42.57 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.0 -42.1 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.993 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -43.71 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.872 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -46.5 88.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.063 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.1 t -64.83 -39.35 85.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 122.001 0.905 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -44.81 94.41 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.631 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.98 -27.14 62.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.761 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 15' ' ' THR . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' THR . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' ILE . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' SER . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLN . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.627 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.72 -38.8 90.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.86 -45.82 91.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.256 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -74.68 -20.17 59.98 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.537 0.684 . . . . 0.0 110.268 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.28 -13.39 58.31 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.55 20.74 8.77 Favored Glycine 0 N--CA 1.466 0.658 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.744 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' THR . 15.0 mmm180 -80.67 -72.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER 30.8 75.33 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.506 0.669 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -63.73 -38.13 89.97 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.506 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.1 t80 57.12 31.51 20.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.52 6.31 85.94 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -98.85 8.06 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.428 ' CA ' HD12 ' A' ' 116' ' ' LEU . . . -86.98 103.95 2.91 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.942 -1.477 . . . . 0.0 111.046 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.39 -45.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.25 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.65 -39.24 90.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -70.23 150.46 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.446 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 pt -135.54 70.45 66.59 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.04 -38.2 79.95 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.078 2.518 . . . . 0.0 112.263 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.71 -45.61 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.46 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' OH ' HG11 ' A' ' 76' ' ' VAL . 31.6 t80 -65.02 -38.35 90.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.09 -44.35 96.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.228 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLU . 66.9 t -58.51 -41.39 81.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.46 99.12 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.86 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 ' O ' ' N ' ' A' ' 50' ' ' THR . 41.2 tp -69.97 -42.35 73.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 122.073 0.94 . . . . 0.0 110.294 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -63.51 -48.1 78.98 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.439 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.37 -37.61 71.6 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 51' ' ' ASN . 99.1 m-70 -100.47 -39.45 7.94 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 46' ' ' LEU . 38.3 p 49.88 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.715 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 72.29 10.54 5.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.976 0.417 . . . . 0.0 110.658 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' A' ' 54' ' ' ALA . 7.4 mp -63.66 10.61 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.71 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -56.34 -9.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.162 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' H ' ' C ' ' A' ' 52' ' ' LEU . . . -60.64 -42.82 97.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.925 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -100.77 -44.8 5.68 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.631 0.253 . . . . 0.0 111.325 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' HD12 ' A' ' 57' ' ' LEU . 90.2 m-70 -67.82 -41.18 83.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.826 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 56' ' ' HIS . 11.0 mp -110.87 167.52 10.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -115.49 93.77 37.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.469 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.43 148.54 51.65 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.634 2.223 . . . . 0.0 111.974 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -63.38 148.27 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.3 -7.64 77.99 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 53.85 76.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 65' ' ' ILE . 98.3 mttt -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.02 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 46.11 14.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LYS . 80.4 mt -61.83 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.967 -0.458 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 65' ' ' ILE . . . -68.42 150.14 50.53 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.1 mp -66.55 123.02 18.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.426 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 73' ' ' VAL . 95.0 mt -63.5 -45.05 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.26 -45.69 90.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.06 -43.75 91.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.109 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.46 -42.06 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.688 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 69' ' ' ILE . 54.8 t -61.07 -37.27 76.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.274 1.035 . . . . 0.0 109.431 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -71.03 -46.73 61.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.338 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.52 -26.14 59.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.27 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG11 ' OH ' ' A' ' 42' ' ' TYR . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.839 ' O ' HG23 ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' OG1' ' A' ' 15' ' ' THR . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.473 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 92' ' ' THR . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 88' ' ' SER . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.536 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 ' HB1' ' A' ' 34' ' ' ALA . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.64 -37.53 79.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.12 -43.35 99.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.929 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -74.97 -21.25 59.28 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.572 0.701 . . . . 0.0 110.752 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -76.76 -9.29 58.57 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.229 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 116' ' ' LEU . . . 112.38 17.53 8.13 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.843 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 115' ' ' THR . 5.2 tpt180 -102.16 174.25 6.01 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.173 0.511 . . . . 0.0 110.476 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 114' ' ' ARG . 1.9 m 60.36 30.06 19.51 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.847 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 113' ' ' GLY . 9.8 mp -80.51 136.01 36.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.098 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -102.72 9.81 38.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.79 6.23 52.68 Favored Glycine 0 N--CA 1.463 0.484 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.54 -39.31 93.19 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.74 104.03 2.5 Favored Glycine 0 CA--C 1.511 -0.203 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.052 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.9 pt -72.4 -13.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.763 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.262 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -84.75 -10.08 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.465 HG12 ' H ' ' A' ' 8' ' ' ALA . 17.0 tt 39.19 70.49 1.36 Allowed Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 122.353 1.073 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.22 -34.97 50.98 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -60.92 -44.31 97.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.734 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 5' ' ' ILE . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.419 ' OG1' HD13 ' A' ' 81' ' ' LEU . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' H ' ' HA ' ' A' ' 99' ' ' THR . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 11' ' ' VAL . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.69 91.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' CE2' HG13 ' A' ' 73' ' ' VAL . 55.6 t80 -60.13 -42.57 95.08 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.046 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.18 -44.82 87.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.076 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.8 t -58.8 -41.57 83.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.17 -41.81 98.22 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.733 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 50' ' ' THR . 58.6 tp -65.81 -46.65 77.83 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.916 0.865 . . . . 0.0 109.722 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.83 -48.36 80.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.157 -1.383 . . . . 0.0 108.708 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.82 -37.55 84.84 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.101 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -67.19 -37.41 83.62 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.111 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 46' ' ' LEU . 61.7 p -70.4 -11.97 61.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 38.3 t30 -59.82 -38.1 81.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.609 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.27 -22.33 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -61.98 -7.77 4.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.08 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 90.2 mt -72.82 20.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.733 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.514 ' H ' ' C ' ' A' ' 54' ' ' ALA . 4.9 t-160 82.78 37.06 0.05 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 57' ' ' LEU . 9.1 mp -97.95 171.35 8.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -120.45 94.62 48.85 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.489 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.04 140.37 70.11 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.508 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' O ' ' CD1' ' A' ' 65' ' ' ILE . 3.3 mmp_? -93.9 74.43 4.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.825 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.17 6.22 81.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -136.86 -167.46 2.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.834 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 65' ' ' ILE . 71.9 mmtt 64.77 26.24 12.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 66' ' ' SER . 40.8 ttp180 67.92 -36.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.433 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 63' ' ' LYS . 37.3 mt 67.95 -19.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 O-C-N 123.266 0.354 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.556 ' H ' ' C ' ' A' ' 64' ' ' ARG . 10.2 m 56.26 7.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.376 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . -117.39 137.53 13.41 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.09 102.73 14.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.151 0.501 . . . . 0.0 110.327 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.41 -42.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.856 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -61.76 -39.34 91.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.922 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.29 -45.69 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.242 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 76' ' ' VAL . 98.2 mt-10 -62.57 -48.35 79.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.571 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 42' ' ' TYR . 61.4 t -62.99 -41.98 94.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.608 0.718 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -63.84 -50.18 69.91 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.069 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 72' ' ' GLU . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 77' ' ' LEU . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 89' ' ' VAL . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 92' ' ' THR . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 85' ' ' ILE . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 88' ' ' SER . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.487 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.07 -37.81 81.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 115' ' ' THR . 65.3 tttp -60.33 -46.62 89.27 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.214 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -72.93 -19.51 61.24 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 121.342 0.592 . . . . 0.0 110.11 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.38 -10.67 45.74 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' HA2' HD11 ' A' ' 116' ' ' LEU . . . 103.39 15.8 22.21 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.891 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -67.19 -47.64 70.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.737 ' C ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -162.28 100.37 1.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.256 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.044 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -105.15 -17.74 14.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.114 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.5 t80 64.01 28.54 14.37 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.406 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.73 87.72 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -111.08 23.23 14.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.69 0.281 . . . . 0.0 111.364 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.02 103.39 2.35 Favored Glycine 0 N--CA 1.459 0.186 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.81 0 CA-C-O 118.012 -1.438 . . . . 0.0 111.191 179.806 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.724 0.297 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' HD13 ' A' ' 81' ' ' LEU . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 19' ' ' THR . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' A' ' 25' ' ' LEU . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.492 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 99' ' ' THR . 79.4 mm-40 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' THR . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 85' ' ' ILE . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' SER . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 HE21 ' A' ' 28' ' ' GLN . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.464 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 HE21 HG23 ' A' ' 99' ' ' THR . 79.7 mm-40 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 77' ' ' LEU . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 92' ' ' THR . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 88' ' ' SER . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.539 HG23 HE21 ' A' ' 28' ' ' GLN . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 35' ' ' LEU . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.519 ' OG1' HD13 ' A' ' 81' ' ' LEU . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.488 HE21 HG23 ' A' ' 99' ' ' THR . 79.2 mm-40 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.433 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 11' ' ' VAL . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.856 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 ' OG1' ' A' ' 15' ' ' THR . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 92' ' ' THR . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 85' ' ' ILE . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' SER . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 120.796 0.331 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' THR . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.838 HG22 HD13 ' A' ' 81' ' ' LEU . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.527 HE21 HG23 ' A' ' 99' ' ' THR . 71.7 mm-40 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.838 HD13 HG22 ' A' ' 15' ' ' THR . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 92' ' ' THR . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.435 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 88' ' ' SER . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 92' ' ' THR . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 35' ' ' LEU . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.62 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.714 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 11' ' ' VAL . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.441 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 92' ' ' THR . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 88' ' ' SER . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.468 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.585 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.463 HG22 ' OE1' ' A' ' 28' ' ' GLN . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 11' ' ' VAL . 41.6 t80 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 7' ' ' PHE . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.486 ' OG1' HD13 ' A' ' 81' ' ' LEU . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' H ' ' H ' ' A' ' 25' ' ' LEU . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.532 HE21 HG23 ' A' ' 99' ' ' THR . 79.1 mm-40 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.865 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.486 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 92' ' ' THR . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 88' ' ' SER . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HE21 ' A' ' 28' ' ' GLN . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.458 HG21 ' HB1' ' A' ' 34' ' ' ALA . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 81' ' ' LEU . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.602 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 99' ' ' THR . 80.1 mm-40 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.454 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' THR . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 85' ' ' ILE . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' SER . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 HE21 ' A' ' 28' ' ' GLN . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.461 HG11 ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 35' ' ' LEU . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.82 HG22 HD13 ' A' ' 81' ' ' LEU . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.579 ' C ' ' N ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' H ' ' H ' ' A' ' 25' ' ' LEU . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.595 ' C ' HE22 ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.727 ' N ' ' CD ' ' A' ' 28' ' ' GLN . 9.8 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 11' ' ' VAL . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' GLU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 15' ' ' THR . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' THR . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' ILE . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' SER . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 28' ' ' GLN . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.851 0.358 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.511 HE21 HG23 ' A' ' 99' ' ' THR . 78.9 mm-40 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.839 ' O ' HG23 ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' OG1' ' A' ' 15' ' ' THR . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.473 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 92' ' ' THR . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 88' ' ' SER . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.536 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 ' HB1' ' A' ' 34' ' ' ALA . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.458 0.17 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.419 ' OG1' HD13 ' A' ' 81' ' ' LEU . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' CD ' HE22 ' A' ' 28' ' ' GLN . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.516 HE21 HG23 ' A' ' 99' ' ' THR . 80.2 mm-40 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 11' ' ' VAL . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.386 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 77' ' ' LEU . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 89' ' ' VAL . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 92' ' ' THR . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 85' ' ' ILE . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 88' ' ' SER . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.516 HG23 HE21 ' A' ' 28' ' ' GLN . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 4' ' ' LYS . 62.6 tp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.04 -44.96 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.329 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.84 -39.4 91.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' LEU . 64.8 tttp -138.75 132.41 30.66 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.377 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.55 HG12 ' H ' ' A' ' 8' ' ' ALA . 11.3 tt -122.57 85.11 48.53 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 121.59 0.71 . . . . 0.0 110.711 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -53.89 -38.21 85.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 123.018 2.479 . . . . 0.0 113.718 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.76 -46.98 87.5 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.88 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 5' ' ' ILE . . . -59.4 -39.48 83.53 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.13 -41.1 95.16 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.446 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.71 -43.36 80.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.114 0.483 . . . . 0.0 111.547 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.47 -44.52 90.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -62.66 -37.91 88.26 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.944 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -44.92 92.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.829 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 56.0 t -63.46 -46.93 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.992 0.901 . . . . 0.0 109.431 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' HD13 ' A' ' 81' ' ' LEU . 48.2 m -63.85 -37.36 87.11 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.164 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -60.84 -38.89 87.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.657 0.265 . . . . 0.0 110.339 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.35 -39.22 89.81 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.8 m-30 -71.14 -41.34 70.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.397 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.575 ' O ' ' N ' ' A' ' 21' ' ' LYS . 2.9 m -84.08 11.91 7.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.595 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.619 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.3 t -44.57 -15.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.316 0.579 . . . . 0.0 109.529 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' N ' ' O ' ' A' ' 19' ' ' THR . 98.4 mttt -68.92 23.98 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.436 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.619 ' H ' ' C ' ' A' ' 20' ' ' THR . 33.3 t70 -71.61 43.82 0.09 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 109.168 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.563 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.89 -22.77 50.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.733 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' A' ' 25' ' ' LEU . 31.9 m-20 -172.08 -1.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.639 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -62.49 167.36 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.974 0.892 . . . . 0.0 111.455 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' H ' ' HA ' ' A' ' 99' ' ' THR . 63.0 ttm-85 -139.44 136.35 34.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.819 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -98.03 114.22 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.174 0.511 . . . . 0.0 111.831 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 99' ' ' THR . 79.4 mm-40 -85.31 165.47 17.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.165 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -59.39 -35.53 74.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.3 mmt -60.39 -38.78 85.01 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.393 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.97 -46.41 43.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.25 -39.7 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.396 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 98.1 mmm -59.52 -35.03 73.4 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -58.91 -39.2 80.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.443 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' LEU . 8.4 mp -62.41 -39.3 92.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.416 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.92 -41.78 86.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.919 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.04 -39.13 93.4 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.611 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.74 79.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.74 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -65.31 -47.78 75.37 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.641 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.1 pt-20 -70.16 -33.22 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.981 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.99 79.64 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.154 0.502 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' OH ' HG11 ' A' ' 76' ' ' VAL . 52.7 t80 -62.72 -42.59 99.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.187 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.81 -46.6 81.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.474 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 40' ' ' GLU . 61.4 t -59.63 -41.23 84.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.554 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.26 -40.72 99.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.453 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 50' ' ' THR . 53.8 tp -69.2 -46.63 66.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.749 0.785 . . . . 0.0 110.31 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.24 -50.0 74.82 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.853 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -63.77 -37.07 86.0 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.578 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.8 m170 -66.73 -38.69 87.17 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.164 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 46' ' ' LEU . 70.1 p -69.08 -29.28 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 110.693 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.566 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 43.1 t30 -62.42 -39.52 93.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.108 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.73 -33.92 76.7 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.881 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' LEU . 81.8 mt -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 51' ' ' ASN . . . -59.68 -19.61 50.71 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.937 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.56 -40.99 96.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.17 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -142.01 -21.24 0.71 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.203 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 53' ' ' LEU . 83.4 mt -100.13 160.01 14.66 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.349 0.595 . . . . 0.0 110.913 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -124.48 96.23 41.68 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.543 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.28 140.42 52.23 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 122.392 2.061 . . . . 0.0 112.264 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -83.15 84.85 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.007 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.28 -39.82 97.74 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.35 153.69 26.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.702 0.287 . . . . 0.0 110.762 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ILE . 56.9 mtpt 56.69 53.59 8.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.066 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.64 68.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' LYS . 59.8 mt -123.52 99.62 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.887 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -161.43 72.64 0.42 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.536 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 68' ' ' LEU . . . 70.41 30.11 69.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 2.8 mm? 47.99 106.31 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.355 0.598 . . . . 0.0 110.609 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.61 -41.68 85.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.09 -42.46 98.55 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.897 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.33 -45.74 91.86 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' VAL . 96.6 mt-10 -61.77 -46.43 89.63 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.905 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 66.3 t -62.16 -42.43 95.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.249 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.32 -49.76 68.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.934 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.7 -34.41 78.25 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.704 0.764 . . . . 0.0 110.329 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 72' ' ' GLU . 53.5 t -69.87 -39.34 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.271 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 73' ' ' VAL . 79.9 mt -67.28 -38.55 85.24 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -58.1 -43.91 87.37 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.389 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.77 -44.19 97.09 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.6 t80 -61.33 -52.04 66.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.085 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.629 ' O ' HG12 ' A' ' 85' ' ' ILE . 95.9 mt -60.17 -48.46 81.62 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.926 -0.71 . . . . 0.0 110.088 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 49.6 mm-40 -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.968 0.413 . . . . 0.0 110.917 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -62.43 -38.91 91.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.682 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 80' ' ' PHE . 45.0 t -59.19 -39.7 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.926 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 81' ' ' LEU . 29.4 mm -66.56 -41.63 88.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -63.19 -40.99 99.09 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.033 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.32 -34.19 63.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.787 0.803 . . . . 0.0 111.162 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 92' ' ' THR . 39.7 t -71.64 -46.59 58.59 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.457 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 85' ' ' ILE . 83.8 t -65.02 -37.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -62.02 -49.58 75.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.739 -1.118 . . . . 0.0 112.078 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -72.02 -36.3 69.66 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 88' ' ' SER . 31.7 p -69.06 -46.8 66.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.91 -34.89 76.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.396 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -59.35 -37.74 78.64 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -101.23 26.47 7.08 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.67 -1.604 . . . . 0.0 108.343 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.49 35.27 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.648 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' ALA . 11.5 tpp180 -97.14 159.17 15.07 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.306 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.6 pttp -131.84 77.21 1.75 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.494 -1.23 . . . . 0.0 107.953 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 HE21 ' A' ' 28' ' ' GLN . 87.8 m -167.24 147.3 5.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.695 -178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -107.53 122.6 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.9 p -125.03 150.95 46.23 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.97 0.414 . . . . 0.0 110.716 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.53 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 90.3 p -62.52 -20.92 65.11 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.594 0.711 . . . . 0.0 109.395 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 7.6 mp -68.18 -47.97 66.55 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.081 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.82 -34.41 77.85 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.8 t -63.53 -43.33 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.75 -40.53 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.992 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.1 m-30 -62.58 -41.27 98.84 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.84 97.36 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.859 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.33 -38.11 89.88 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.974 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.77 -46.29 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.961 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.47 -19.05 59.66 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.397 0.618 . . . . 0.0 110.517 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -68.4 -13.25 62.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.122 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 24.34 5.12 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.469 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' C ' HG23 ' A' ' 115' ' ' THR . 20.6 mmm180 -101.96 155.23 18.29 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.591 HG23 ' C ' ' A' ' 114' ' ' ARG . 1.5 p 73.48 -22.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.574 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 114' ' ' ARG . 9.2 mp 47.44 23.8 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.517 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.482 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 31.7 t80 50.56 12.75 0.11 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 116' ' ' LEU . . . 85.38 3.9 86.47 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.81 -39.44 94.28 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.72 104.66 2.67 Favored Glycine 0 C--N 1.328 0.133 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.766 0 CA-C-O 117.982 -1.455 . . . . 0.0 111.201 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.1 tt -62.83 -28.18 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.673 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -61.05 -43.67 98.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -64.96 140.39 58.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.149 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.466 HG22 ' H ' ' A' ' 8' ' ' ALA . 63.0 mt -113.57 95.79 37.84 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.996 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.8 -37.89 66.42 Favored 'Trans proline' 0 N--CA 1.498 1.775 0 C-N-CA 122.405 2.07 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -62.55 -41.67 99.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.689 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 5' ' ' ILE . . . -60.55 -39.3 87.43 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -66.03 -41.89 90.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.313 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.03 -43.5 78.63 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 0.0 111.593 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.5 t -65.21 -44.67 95.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -62.55 -38.45 90.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.961 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.91 -44.97 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.0 t -63.88 -46.56 93.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.782 0.801 . . . . 0.0 109.689 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.464 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.0 m -62.97 -38.9 92.96 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.782 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.5 m-20 -61.13 -38.94 88.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.971 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -60.91 -40.25 92.43 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.6 m-30 -72.53 -41.96 65.27 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.07 12.5 4.15 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.933 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.11 -15.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 63.7 mttp -69.33 25.35 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.057 176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.612 ' H ' ' C ' ' A' ' 20' ' ' THR . 65.8 m-20 -72.79 43.62 0.12 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.594 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.93 -54.48 15.3 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.01 -179.126 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 98.3 m-20 -139.28 5.47 2.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.062 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 25' ' ' LEU . 9.0 mp -61.87 167.2 3.88 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 122.202 1.001 . . . . 0.0 112.09 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.2 ttm180 -141.23 135.55 30.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.414 -1.721 . . . . 0.0 110.039 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -99.65 113.11 25.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.718 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 HE21 HG23 ' A' ' 99' ' ' THR . 79.7 mm-40 -83.12 160.84 21.79 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -61.16 -21.71 64.03 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.431 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.44 -37.23 82.67 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -51.97 -43.28 63.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.4 -39.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.11 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.5 mmm -60.33 -37.24 80.02 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.8 -38.63 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.103 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.1 mp -61.93 -39.48 92.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -68.1 -40.87 82.52 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.105 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.014 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.4 -45.62 86.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.106 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.7 p -69.57 -42.66 74.22 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.863 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 44' ' ' VAL . 22.7 pt-20 -73.08 -31.25 64.26 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.635 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.23 -42.04 69.41 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.602 ' CZ ' HG11 ' A' ' 76' ' ' VAL . 50.2 t80 -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.763 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -63.77 -47.13 82.19 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.638 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 40' ' ' GLU . 70.7 t -59.28 -41.9 85.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.72 98.82 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.898 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 50' ' ' THR . 55.7 tp -70.28 -44.66 67.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.769 0.795 . . . . 0.0 110.645 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.38 -50.3 74.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.804 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.71 -38.53 83.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.034 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -65.65 -45.52 82.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.701 HG23 ' N ' ' A' ' 51' ' ' ASN . 7.3 t -94.69 -145.35 0.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.04 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.701 ' N ' HG23 ' A' ' 50' ' ' THR . 4.0 t30 62.11 -4.46 0.2 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 50' ' ' THR . 86.8 mt -74.39 -11.93 60.38 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.35 -26.5 68.05 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.58 -8.18 4.12 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.165 -1.38 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.35 13.39 5.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.986 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 t60 67.3 46.22 1.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.751 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.9 mt -89.41 163.93 15.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.145 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -121.49 96.16 47.82 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.546 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -50.95 139.85 40.48 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 122.445 2.097 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -86.73 -2.0 58.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.135 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.27 1.63 90.12 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.4 m -68.68 -18.17 64.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.065 -0.567 . . . . 0.0 110.626 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -124.32 106.98 10.68 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.406 HH12 ' HB2' ' A' ' 66' ' ' SER . 74.2 ttt-85 -75.59 127.56 33.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.61 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.548 HD12 ' H ' ' A' ' 65' ' ' ILE . 1.3 mp -90.25 -37.55 9.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 CA-C-O 120.87 0.367 . . . . 0.0 110.92 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.0 p 77.33 -23.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . 90.1 -10.17 74.96 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' OE1' ' A' ' 71' ' ' GLU . 63.6 mt -108.2 91.43 3.64 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.052 0.454 . . . . 0.0 110.636 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 92.0 mt -62.71 -42.42 96.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.437 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -59.44 -45.94 90.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' HD12 ' A' ' 68' ' ' LEU . 88.6 tt0 -59.88 -45.33 92.83 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.761 -179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 65' ' ' ILE . 97.7 mt-10 -62.43 -44.0 97.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.35 0.595 . . . . 0.0 110.58 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.03 -38.03 80.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 CA-C-O 122.253 1.025 . . . . 0.0 109.638 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.64 -48.34 82.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.664 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.25 59.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.894 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.602 HG11 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -80.51 -33.47 13.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 77' ' ' LEU . 62.1 mt -67.71 -37.61 82.49 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.9 -44.23 86.63 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.288 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -60.8 -45.2 95.36 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.774 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.849 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.5 t80 -61.26 -52.26 65.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.8 mt -59.89 -46.31 89.74 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.421 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.5 mm-40 -58.97 -48.81 80.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.979 0.419 . . . . 0.0 111.149 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.78 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.717 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.83 -42.57 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -178.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.3 -44.38 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.88 -39.92 91.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.77 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.82 -32.23 61.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.523 0.678 . . . . 0.0 111.438 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 92' ' ' THR . 60.3 m -75.41 -44.88 42.23 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.552 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.07 -36.73 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.2 m -61.56 -48.17 82.19 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.533 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -72.64 -36.17 67.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.752 0.311 . . . . 0.0 110.188 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 88' ' ' SER . 73.3 p -69.29 -45.96 68.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -61.72 -35.9 79.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -59.4 -37.43 77.99 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -99.8 21.92 11.81 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.681 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 35.58 37.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.352 -179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -101.45 163.57 12.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.056 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 78.43 1.68 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.539 HG23 HE21 ' A' ' 28' ' ' GLN . 99.2 m -165.89 147.43 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.081 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.01 124.43 64.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.9 p -127.73 151.09 49.43 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.035 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.8 p -62.18 -19.73 63.41 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.759 0.79 . . . . 0.0 109.322 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.68 -49.25 55.33 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.671 -1.15 . . . . 0.0 109.865 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -62.17 -33.01 73.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.62 -43.01 98.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.82 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 t -60.58 -40.32 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.284 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -61.52 -43.6 98.57 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.57 98.37 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.937 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.48 -37.48 82.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.693 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.15 -46.33 90.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.744 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.41 -19.75 61.55 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.379 0.609 . . . . 0.0 110.88 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.82 -5.05 54.68 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.881 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.82 34.22 1.9 Allowed Glycine 0 N--CA 1.472 1.091 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.343 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -121.37 155.99 33.6 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 117.263 0.532 . . . . 0.0 110.349 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 m 56.26 32.8 21.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.241 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.29 150.4 25.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.683 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.4 6.68 44.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.16 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 91.51 -3.65 79.08 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.36 7.45 35.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.681 -0.259 . . . . 0.0 111.003 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.92 3.21 Favored Glycine 0 N--CA 1.46 0.295 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.052 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.31 -43.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.605 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' LYS . 74.5 m -60.8 -38.94 87.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' SER . 67.7 mttm 57.43 117.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.434 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 pt -128.43 58.72 36.88 Favored Pre-proline 0 C--O 1.233 0.23 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.24 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.03 -31.26 66.06 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.382 2.055 . . . . 0.0 112.116 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -68.35 -41.08 81.22 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.49 90.18 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 99.5 mtt180 -63.69 -38.69 92.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.582 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.04 -43.98 66.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.967 0.413 . . . . 0.0 110.583 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 35' ' ' LEU . 71.2 t -65.04 -45.62 93.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.5 mtpt -63.5 -38.95 93.09 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.955 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -65.89 -44.85 84.08 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.504 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 55.1 t -63.82 -46.03 95.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.757 0.789 . . . . 0.0 109.353 178.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.519 ' OG1' HD13 ' A' ' 81' ' ' LEU . 58.3 m -63.12 -38.86 92.86 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.812 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.26 -38.72 87.73 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.613 0.244 . . . . 0.0 110.884 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -60.69 -40.26 91.52 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -72.95 -42.71 63.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 m -81.06 12.33 3.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.878 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.3 t -44.73 -14.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.0 mttp -66.83 23.99 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.842 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 64.9 m-20 -69.45 39.31 0.04 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.441 0.638 . . . . 0.0 109.333 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -52.53 -23.46 6.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.12 -179.355 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 28.7 m-20 -172.81 -0.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.707 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.44 167.66 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.944 0.878 . . . . 0.0 111.235 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.9 ttm-85 -141.19 136.62 31.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.741 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -98.81 114.35 26.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.144 0.497 . . . . 0.0 111.999 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.488 HE21 HG23 ' A' ' 99' ' ' THR . 79.2 mm-40 -85.27 162.37 19.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.5 p -61.51 -21.43 64.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -67.73 -36.52 80.72 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -55.28 -39.56 69.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.398 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.433 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 68.9 mt -70.38 -40.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.052 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.7 mmt -60.75 -37.82 83.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.39 -37.77 81.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.662 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD22 ' CG1' ' A' ' 11' ' ' VAL . 87.3 mt -64.79 -39.19 93.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.807 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -65.66 -41.74 92.18 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.337 0.589 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 78.0 mm-40 -65.77 -38.62 89.54 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.538 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.11 76.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.278 -0.874 . . . . 0.0 113.008 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -65.61 -48.09 73.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.591 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 44' ' ' VAL . 22.7 pt-20 -70.05 -29.78 66.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.61 -41.89 71.67 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -65.55 -40.34 92.72 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.384 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.78 -48.22 77.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.444 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 40' ' ' GLU . 67.3 t -59.78 -41.82 86.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.83 -40.55 99.37 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.459 -1.246 . . . . 0.0 110.657 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.876 ' O ' HG22 ' A' ' 50' ' ' THR . 56.0 tp -70.02 -46.04 65.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.645 0.736 . . . . 0.0 110.56 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.77 -50.21 74.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.681 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.56 -37.16 84.37 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.157 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.28 -46.02 85.48 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.392 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 46' ' ' LEU . 3.8 t -90.29 97.09 10.98 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.213 0.53 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -178.31 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.49 -14.89 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 111.164 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 57' ' ' LEU . 82.3 mt -63.04 -34.53 77.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -20.5 54.14 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.848 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.05 -40.84 98.89 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.244 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -131.78 -30.31 1.63 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.777 0.323 . . . . 0.0 110.622 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 53' ' ' LEU . 4.3 mm? -96.13 165.26 12.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.329 0.585 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.34 97.28 40.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.918 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -51.31 136.71 47.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.293 1.995 . . . . 0.0 112.761 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -112.72 22.33 14.64 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.57 20.81 16.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.3 m -60.8 -38.23 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.701 0.286 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 65' ' ' ILE . 62.9 mttp -60.5 -36.95 79.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.025 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 56.9 -4.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 63' ' ' LYS . 42.4 pt -114.47 7.86 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 117.989 0.359 . . . . 0.0 111.066 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -61.49 -40.33 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.189 0.519 . . . . 0.0 109.895 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.91 165.24 27.72 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 68' ' ' LEU . 8.4 mp -77.81 105.9 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.044 0.45 . . . . 0.0 110.295 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 69' ' ' ILE . 3.8 mp -62.35 -42.1 94.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.24 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.98 -40.57 96.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.048 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.8 -45.41 92.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.984 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 76' ' ' VAL . 98.0 mt-10 -62.87 -47.52 82.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.591 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.81 -41.95 94.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.384 0.611 . . . . 0.0 109.841 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.65 -49.08 72.42 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.6 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.66 -28.69 66.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.59 0.71 . . . . 0.0 110.507 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 72' ' ' GLU . 51.9 t -73.96 -39.44 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.041 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.26 -36.67 79.78 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.034 177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -56.66 -43.93 80.85 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.163 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 t -60.81 -44.91 96.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.764 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.856 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 t80 -61.08 -52.31 65.48 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.363 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 ' OG1' ' A' ' 15' ' ' THR . 87.2 mt -59.45 -46.92 87.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.526 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.3 mm-40 -58.75 -48.17 82.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 111.098 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -64.03 -37.95 89.31 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.553 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 80' ' ' PHE . 55.9 t -59.93 -42.28 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.322 -178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.28 -43.26 97.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.45 -39.88 94.81 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.803 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -74.67 -33.79 62.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.693 0.759 . . . . 0.0 111.401 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 92' ' ' THR . 69.6 m -73.68 -43.42 59.41 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.417 -177.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 85' ' ' ILE . 73.0 t -65.37 -37.75 80.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 m -62.32 -49.38 75.84 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.078 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.15 -36.81 69.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' SER . 25.0 p -68.74 -46.95 67.55 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.11 -35.23 78.08 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.8 -37.86 77.29 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -100.4 22.06 12.21 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 113.912 -1.494 . . . . 0.0 108.707 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.4 37.05 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.962 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -98.47 158.49 15.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.843 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -132.89 77.54 1.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.491 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 87.9 m -167.56 146.43 4.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.57 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.6 t -105.0 121.86 57.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -125.76 150.64 47.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.978 0.418 . . . . 0.0 110.807 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 99.7 p -61.68 -21.04 64.1 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.879 0.847 . . . . 0.0 109.148 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.75 -46.27 69.27 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.374 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.8 -32.67 74.11 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.84 -43.2 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.38 -40.75 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.879 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -63.42 -40.47 97.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.83 94.29 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.077 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.49 -37.95 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.39 -46.21 90.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.236 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 ptm85 -72.53 -17.98 61.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.218 0.532 . . . . 0.0 110.558 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -77.21 -3.55 40.22 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.011 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.6 11.77 20.57 Favored Glycine 0 N--CA 1.47 0.916 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.385 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 115' ' ' THR . 15.8 mmp_? -90.94 156.49 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 114' ' ' ARG . 0.7 OUTLIER 83.77 -27.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 -179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' THR . 8.2 mp 54.97 114.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.104 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -67.92 -27.16 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.373 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.27 6.18 3.16 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.346 -0.701 . . . . 0.0 111.346 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.75 -39.61 92.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.839 0.352 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.89 101.99 2.63 Favored Glycine 0 C--N 1.33 0.245 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.782 0 CA-C-O 117.976 -1.458 . . . . 0.0 111.123 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -82.05 -2.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.792 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 t -60.75 -43.89 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt 44.93 -131.02 0.94 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.232 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.5 mt -89.2 121.1 69.78 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.24 -34.0 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.046 1.164 . . . . 0.0 111.784 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -62.03 -46.3 89.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.376 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -39.86 84.12 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 32.6 mtp-105 -65.25 -40.82 94.5 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.645 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -68.03 -43.67 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.392 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' THR . 84.8 t -66.03 -45.15 91.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -62.61 -38.22 89.33 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.007 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 6.1 mm-40 -64.44 -46.49 82.92 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.072 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 45.7 t -61.02 -44.58 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-O 122.093 0.949 . . . . 0.0 109.344 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.838 HG22 HD13 ' A' ' 81' ' ' LEU . 75.3 p -67.34 -32.95 74.25 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.828 -178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.3 m-20 -63.02 -36.21 82.8 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.434 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.59 -40.89 98.11 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.7 m-30 -71.13 -41.48 70.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.514 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -84.02 10.44 9.95 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.795 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.597 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.99 -15.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.7 mttm -70.77 23.73 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.025 177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' ' 20' ' ' THR . 55.4 t0 -71.47 43.4 0.08 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.575 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -55.03 -21.8 13.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.336 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 30.7 m-20 -172.81 -6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.821 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.7 mp -51.88 167.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.687 0.756 . . . . 0.0 110.813 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' H ' ' HA ' ' A' ' 99' ' ' THR . 6.0 tpm_? -139.06 130.75 27.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.606 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -99.23 111.48 23.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.921 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.527 HE21 HG23 ' A' ' 99' ' ' THR . 71.7 mm-40 -84.59 165.57 17.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.053 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 t -58.73 -34.48 71.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.9 mtm -60.08 -40.22 88.81 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.713 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.79 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -48.66 -44.65 37.85 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.601 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.62 -41.94 93.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.298 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 34' ' ' ALA . 1.3 ppp? -60.27 -28.6 68.19 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.101 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.79 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.22 -39.71 91.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.792 -1.549 . . . . 0.0 109.042 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.7 mp -62.65 -39.56 94.25 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.751 -0.779 . . . . 0.0 109.498 178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -66.78 -41.18 88.1 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.56 -39.13 93.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.023 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.87 79.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.969 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -66.69 -44.76 80.88 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.679 -178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.6 pt-20 -71.59 -34.25 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.846 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.91 82.6 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.655 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.519 ' OH ' HG11 ' A' ' 76' ' ' VAL . 45.5 t80 -63.44 -40.81 98.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.55 -45.91 85.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.092 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' GLU . 62.1 t -59.35 -41.39 84.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -63.15 -40.51 99.24 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.624 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 50' ' ' THR . 51.1 tp -69.15 -45.02 71.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.643 0.735 . . . . 0.0 110.215 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.34 -50.37 73.21 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.22 -1.354 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.33 -37.3 85.05 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.244 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 34.5 m170 -66.64 -38.44 86.9 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.124 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 46' ' ' LEU . 8.5 t -104.11 -165.8 1.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.578 0.228 . . . . 0.0 110.467 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER 64.54 -28.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.11 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.579 ' H ' ' C ' ' A' ' 50' ' ' THR . 88.7 mt -76.41 -11.39 59.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.065 0.459 . . . . 0.0 109.846 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 57' ' ' LEU . 80.4 mt -63.56 -29.81 71.01 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.97 60.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.518 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.46 -41.18 98.58 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.168 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -136.9 -28.45 0.96 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 53' ' ' LEU . 11.0 mp -98.18 162.28 13.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.038 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.7 t -124.99 96.77 39.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -53.41 138.23 65.27 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.192 1.928 . . . . 0.0 112.347 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -111.28 57.53 0.63 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.13 97.73 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.6 m -78.02 102.03 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.553 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -178.47 -77.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -160.61 127.25 4.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.01 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -145.88 78.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.73 0.3 . . . . 0.0 110.655 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -69.59 -23.47 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.644 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.89 149.67 44.96 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.7 mt -97.66 114.56 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.342 . . . . 0.0 110.28 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.97 -43.68 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.941 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -59.48 -45.58 91.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.433 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -59.83 -43.69 94.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.951 0.405 . . . . 0.0 110.15 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -62.01 -44.4 96.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.19 -39.12 84.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 CA-C-O 122.361 1.077 . . . . 0.0 108.829 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.32 -45.63 90.41 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.602 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.32 -25.7 59.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.781 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.519 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -81.16 -32.97 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 77' ' ' LEU . 64.0 mt -68.8 -36.79 78.69 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -58.44 -44.23 89.09 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.129 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -60.95 -44.69 96.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.563 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.9 t80 -61.11 -52.81 63.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.838 HD13 HG22 ' A' ' 15' ' ' THR . 94.0 mt -59.66 -47.07 87.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.791 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 34.5 mm-40 -59.01 -48.64 80.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.021 0.438 . . . . 0.0 111.028 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -64.41 -37.74 88.59 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.273 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -60.23 -43.12 92.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.53 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -44.47 99.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 83.0 mtp180 -61.35 -41.41 97.01 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.841 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -76.26 -28.0 56.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.398 0.618 . . . . 0.0 112.25 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 92' ' ' THR . 45.6 t -75.51 -49.03 19.96 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.098 -177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.435 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 4.0 p -68.79 -27.06 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.313 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 18.8 m -62.99 -47.47 83.0 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.05 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.4 -35.69 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.91 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 88' ' ' SER . 72.6 p -69.37 -45.22 69.88 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 118.344 -1.342 . . . . 0.0 107.661 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -60.48 -35.85 76.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.253 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.24 -37.63 80.97 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.18 25.1 9.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.562 -1.653 . . . . 0.0 108.74 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' THR . 0.0 OUTLIER 33.59 42.41 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.865 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -104.97 160.86 14.7 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.849 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 78.71 1.86 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 92' ' ' THR . 87.1 m -164.53 150.25 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.48 -177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -110.97 122.58 65.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.6 p -125.58 150.65 47.32 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.08 0.467 . . . . 0.0 110.865 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 52.0 p -64.18 -21.2 66.47 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.996 0.903 . . . . 0.0 109.125 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.61 -45.4 68.66 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.729 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -64.91 -33.95 77.25 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.67 -43.17 98.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -63.04 -43.01 98.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.535 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.89 -40.7 97.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.04 99.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.676 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 114' ' ' ARG . 5.2 mt -67.66 -34.76 77.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.726 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.1 -46.39 89.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.629 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.08 -16.92 60.54 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.323 0.582 . . . . 0.0 110.56 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -79.97 -5.24 55.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.764 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.57 32.8 2.21 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.991 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.401 ' HG3' HD22 ' A' ' 109' ' ' LEU . 21.1 mmm180 -119.65 151.61 38.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.16 0.48 . . . . 0.0 109.896 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.7 p -145.32 91.14 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.396 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.7 mp -93.92 106.34 18.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -93.58 47.2 1.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.68 0.5 89.9 Favored Glycine 0 CA--C 1.517 0.201 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.21 -39.9 94.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.032 -0.584 . . . . 0.0 110.032 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 26.25 74.4 Favored Glycine 0 CA--C 1.507 -0.43 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 118.018 -1.434 . . . . 0.0 111.187 179.122 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.38 -29.19 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.509 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.0 t -60.27 -39.85 88.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 109.902 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 65.52 -73.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.908 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 3' ' ' SER . 79.0 mt -123.17 123.5 26.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.69 -28.82 25.13 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.306 1.337 . . . . 0.0 111.969 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -69.25 -40.99 77.53 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.94 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 mmp_? -62.65 -40.37 96.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.479 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.95 -43.64 74.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.195 0.521 . . . . 0.0 111.37 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 35' ' ' LEU . 73.6 t -66.2 -45.35 90.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HZ1' HD11 ' A' ' 32' ' ' ILE . 59.9 mtpt -63.37 -38.6 91.77 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.879 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 16.6 mm-40 -64.9 -44.7 88.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.022 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.8 t -63.78 -46.55 94.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.806 0.812 . . . . 0.0 109.622 178.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.66 -38.86 92.71 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.012 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.4 m-20 -61.1 -38.94 88.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.683 0.278 . . . . 0.0 110.871 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -60.65 -40.2 91.13 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.8 m-30 -72.02 -41.68 67.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -82.38 12.28 4.63 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.806 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.62 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.81 -14.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.385 0.612 . . . . 0.0 109.365 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -68.54 24.36 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.484 177.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.62 ' H ' ' C ' ' A' ' 20' ' ' THR . 56.7 t0 -71.22 43.79 0.08 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.783 0.801 . . . . 0.0 108.94 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -57.04 -22.35 38.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.873 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 31.3 m-20 -170.98 -2.49 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.786 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -61.1 166.27 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.901 0.858 . . . . 0.0 111.242 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 63.0 ttm-85 -139.69 134.39 31.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.751 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.86 113.03 25.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.074 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.714 ' H ' ' NE2' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -90.6 172.8 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -61.61 -27.34 68.58 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.22 -39.75 93.17 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 121.327 0.584 . . . . 0.0 109.657 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.84 -41.03 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' HZ1' ' A' ' 12' ' ' LYS . 66.2 mt -70.36 -39.34 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.238 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.8 mmm -60.27 -37.03 79.19 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.46 -38.42 84.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.328 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 11' ' ' VAL . 88.3 mt -64.88 -39.08 92.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.684 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -64.81 -41.1 96.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.76 -37.08 83.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.433 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.42 88.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.867 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.9 t -68.13 -45.89 72.35 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.842 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 pp20? -71.76 -33.49 68.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.948 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.82 83.81 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.225 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -63.27 -41.46 99.03 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.024 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.7 -48.07 64.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.606 -1.179 . . . . 0.0 112.035 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 40' ' ' GLU . 59.8 t -59.67 -41.86 86.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.98 98.72 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.531 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.6 tp -70.24 -43.42 70.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.692 0.758 . . . . 0.0 110.629 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 50' ' ' THR . 4.1 tp -65.48 -49.19 69.97 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.87 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.99 -36.98 83.38 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.14 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -109.23 17.2 21.81 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -51.99 97.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.065 -179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.7 ' C ' HD22 ' A' ' 51' ' ' ASN . 0.2 OUTLIER 50.49 56.31 8.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.503 0.668 . . . . 0.0 111.12 179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 pt? -69.21 -0.75 6.48 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.066 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 51' ' ' ASN . 42.5 mt -66.9 -19.44 65.73 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.88 -13.6 36.11 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.378 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.67 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.74 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -172.87 13.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.646 -0.422 . . . . 0.0 112.041 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 57' ' ' LEU . 11.1 mp -102.33 171.17 7.62 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.066 0.46 . . . . 0.0 109.93 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -119.38 96.04 49.63 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.154 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.67 137.3 50.32 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.468 2.112 . . . . 0.0 112.791 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -125.87 -56.41 1.47 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.283 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.54 -39.19 97.0 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.2 m -61.12 -38.55 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.668 0.27 . . . . 0.0 110.722 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.28 -43.96 92.5 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.135 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.4 mtm180 -65.36 149.79 49.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.909 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.35 85.55 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.916 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -63.72 -37.02 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.843 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -157.76 27.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.92 132.52 50.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.2 mm -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -61.86 -39.69 92.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.971 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.47 -43.93 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 76' ' ' VAL . 44.7 mt-10 -63.03 -45.47 92.18 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.254 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 58.8 t -62.12 -42.16 93.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -66.22 -48.91 69.06 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.908 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.29 77.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.899 0.856 . . . . 0.0 110.036 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 72' ' ' GLU . 50.5 t -70.08 -39.13 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.111 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 77' ' ' LEU . 79.2 mt -68.01 -38.2 82.32 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -57.8 -43.13 85.46 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.093 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.6 t -61.11 -44.7 96.94 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 20.7 t80 -61.14 -52.13 66.14 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.116 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.441 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.9 mt -59.89 -47.03 87.42 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.425 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.7 mm-40 -59.01 -48.25 82.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -63.92 -37.66 88.21 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.14 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.79 -43.23 91.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.258 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.8 mt -63.21 -43.91 99.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.39 -38.44 87.07 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.397 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.51 ' OD2' ' NH1' ' A' ' 111' ' ' ARG . 99.5 m-20 -77.91 -26.33 48.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.021 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 92' ' ' THR . 54.8 p -82.79 -40.21 20.74 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.306 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -65.8 -37.74 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.172 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -62.5 -50.3 71.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.233 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -72.16 -36.19 69.23 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.938 0.399 . . . . 0.0 110.094 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 88' ' ' SER . 35.6 p -67.99 -47.62 68.03 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.91 -34.64 76.43 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.377 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -58.47 -37.34 75.28 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.33 23.09 12.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.686 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.18 33.2 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.937 -179.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -94.76 160.88 14.41 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.108 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.81 78.02 1.68 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.468 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 91.5 m -167.0 143.91 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.934 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.585 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 46.8 t -106.04 108.81 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.463 HG22 ' OE1' ' A' ' 28' ' ' GLN . 71.7 p -109.35 150.38 28.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 111.05 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.1 p -62.12 -19.45 63.02 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.025 0.917 . . . . 0.0 108.973 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -69.29 -49.39 56.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.836 -179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -61.98 -34.06 75.46 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.6 t -63.08 -42.62 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.742 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.6 t -60.78 -41.95 90.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.089 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.66 -43.75 98.26 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.27 95.65 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.271 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.53 -35.5 77.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.112 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -60.92 -45.87 92.92 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.356 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' NH1' ' OD2' ' A' ' 87' ' ' ASP . 8.9 ptm180 -73.76 -17.46 61.1 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.587 0.708 . . . . 0.0 110.143 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -72.74 -12.53 61.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.299 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' C ' ' HE ' ' A' ' 114' ' ' ARG . . . 112.16 32.39 2.4 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.28 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.562 ' HE ' ' C ' ' A' ' 113' ' ' GLY . 6.3 mmp_? -117.26 152.61 34.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.223 0.535 . . . . 0.0 111.06 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 m 54.14 29.7 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.056 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.4 135.04 42.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.97 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -101.91 9.77 40.31 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.59 6.31 50.32 Favored Glycine 0 N--CA 1.464 0.548 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.34 102.82 2.66 Favored Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 118.029 -1.428 . . . . 0.0 111.093 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.01 -27.98 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.665 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.445 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 74.5 m -61.99 -39.9 93.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.409 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 3' ' ' SER . 25.7 tptt 80.17 -62.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 5' ' ' ILE . 4.3 tp 28.36 58.39 0.64 Allowed Pre-proline 0 N--CA 1.472 0.674 0 O-C-N 123.729 0.643 . . . . 0.0 111.654 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -63.05 -32.95 75.3 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.034 1.823 . . . . 0.0 112.529 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 11' ' ' VAL . 41.6 t80 -60.86 -49.05 79.03 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.801 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.81 84.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.1 mtp180 -64.12 -39.27 93.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.676 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.99 -43.23 75.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.755 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 7' ' ' PHE . 90.0 t -68.61 -44.22 82.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.89 -38.3 90.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.784 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 15.8 mm-40 -64.67 -45.03 88.45 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.536 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 54.9 t -64.43 -46.29 93.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.778 0.799 . . . . 0.0 109.554 178.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.486 ' OG1' HD13 ' A' ' 81' ' ' LEU . 42.9 m -63.19 -39.05 93.53 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.968 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.6 m-20 -61.55 -38.67 88.31 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.943 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -60.63 -40.02 90.38 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.7 m-30 -72.6 -42.51 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.5 m -81.31 12.39 3.62 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.726 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.1 t -44.97 -14.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' GLN . 97.9 mttt -66.89 24.02 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.758 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' THR . 57.3 t0 -71.13 43.43 0.08 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -56.57 -22.93 36.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.892 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' H ' ' H ' ' A' ' 25' ' ' LEU . 29.9 m-20 -172.86 -1.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.594 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.9 mp -63.69 167.73 5.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.906 0.86 . . . . 0.0 111.259 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -141.18 137.47 32.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.688 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.49 113.46 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 0.0 111.945 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.532 HE21 HG23 ' A' ' 99' ' ' THR . 79.1 mm-40 -85.41 160.83 19.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -60.75 -21.55 63.11 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' MET . 66.3 mtp -69.08 -29.29 67.37 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 122.754 1.264 . . . . 0.0 108.422 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.765 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -61.64 -45.61 93.29 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.534 -0.729 . . . . 0.0 110.04 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.68 -50.0 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.263 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.56 ' HG2' ' O ' ' A' ' 30' ' ' MET . 27.5 ptm -54.6 -29.36 51.48 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -61.79 -41.37 97.64 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.19 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 7.4 mp -65.6 -38.96 90.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 120.13 -0.628 . . . . 0.0 109.459 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -65.18 -42.64 93.42 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.606 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 15.0 mm-40 -67.61 -38.55 84.11 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.513 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.91 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.862 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -47.02 71.78 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.883 -0.727 . . . . 0.0 111.726 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 pp20? -71.68 -31.13 66.46 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.932 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -71.9 -42.76 66.35 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.532 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -66.48 -39.11 88.59 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.535 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.89 -48.8 75.22 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.66 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 40' ' ' GLU . 71.4 t -59.86 -42.13 88.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.28 -40.64 99.24 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.64 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 50' ' ' THR . 53.8 tp -69.38 -46.58 66.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.708 0.766 . . . . 0.0 110.387 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.03 -49.76 76.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.512 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -63.84 -37.86 88.95 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.505 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ASN . 59.3 t-80 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.41 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 46' ' ' LEU . 37.2 p -64.48 68.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' HIS . 21.6 t30 -176.12 -58.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 54' ' ' ALA . 96.1 mt -64.78 -38.48 91.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -46.58 -14.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.966 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.764 ' N ' HD12 ' A' ' 53' ' ' LEU . . . -63.72 -42.44 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.726 -0.389 . . . . 0.0 111.477 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 69.4 mt -99.75 -44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.59 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -62.55 -43.28 99.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 53' ' ' LEU . 88.2 mt -116.29 159.63 21.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.659 0.743 . . . . 0.0 111.078 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.4 p -132.76 91.62 29.09 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.71 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -54.66 132.77 53.45 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.354 2.036 . . . . 0.0 111.939 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.66 -41.42 96.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.968 0.413 . . . . 0.0 110.393 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.52 -11.06 64.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -63.87 -46.59 84.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.669 0.271 . . . . 0.0 111.445 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -116.97 16.12 15.12 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.375 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -74.38 123.25 24.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.082 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.2 mt -135.85 -57.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.982 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.9 m 52.31 30.5 8.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.685 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.11 -41.84 99.59 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.34 86.89 2.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.214 0.53 . . . . 0.0 111.015 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.33 -42.74 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.731 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -61.94 -40.84 96.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.524 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -60.59 -44.69 95.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.827 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 76' ' ' VAL . 75.8 mm-40 -62.28 -48.07 81.51 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.029 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.68 -41.34 91.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-O 121.499 0.666 . . . . 0.0 109.799 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -64.44 -49.35 71.84 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.619 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.78 -28.66 64.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 72' ' ' GLU . 52.6 t -73.49 -39.28 54.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.932 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 70.3 mt -68.55 -36.67 79.12 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.184 177.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -56.75 -43.83 81.14 Favored 'General case' 0 N--CA 1.431 -1.397 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.188 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -60.68 -45.37 94.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.848 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.865 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.2 t80 -61.23 -52.04 66.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.334 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.486 HD13 ' OG1' ' A' ' 15' ' ' THR . 90.2 mt -59.49 -46.83 87.69 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.384 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 37.2 mm-40 -58.77 -48.25 81.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.05 0.453 . . . . 0.0 111.175 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.7 t -64.37 -37.96 89.36 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.663 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 80' ' ' PHE . 56.0 t -59.87 -42.37 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.364 -178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.22 -43.07 97.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.401 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.95 -39.88 93.61 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.636 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.58 -33.24 62.61 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.635 0.731 . . . . 0.0 111.291 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG23 ' A' ' 92' ' ' THR . 35.3 t -72.9 -46.54 52.16 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.464 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.81 -37.41 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -61.78 -49.37 76.64 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.928 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.92 -37.11 70.1 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 88' ' ' SER . 36.2 p -67.91 -46.66 70.96 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -62.15 -35.0 77.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.277 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -58.72 -36.95 75.11 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -102.52 23.11 12.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.652 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 38.35 34.38 0.07 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.988 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -95.66 158.88 15.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.096 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 99' ' ' THR . 12.0 pttm -132.73 77.21 1.73 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.532 HG23 HE21 ' A' ' 28' ' ' GLN . 85.5 m -167.65 151.08 6.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.435 -177.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.75 124.46 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 46.3 p -128.53 152.56 48.15 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.521 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.504 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 30.8 p -59.47 -21.29 59.88 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.617 0.722 . . . . 0.0 109.275 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 8.1 mp -67.07 -49.11 66.15 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.666 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.16 -32.13 73.66 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.458 HG21 ' HB1' ' A' ' 34' ' ' ALA . 61.8 t -64.25 -42.97 97.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.28 -40.54 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.774 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 103' ' ' LEU . 7.0 m-30 -63.2 -41.72 99.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.61 -41.34 98.32 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.02 -35.82 81.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -60.54 -44.07 96.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.683 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 113' ' ' GLY . 32.9 mtp-105 -63.41 -35.76 81.5 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 122.621 1.2 . . . . 0.0 108.567 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.86 -0.78 1.16 Allowed 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 112.618 -2.083 . . . . 0.0 108.665 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 111' ' ' ARG . . . 84.71 21.62 55.51 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.293 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 115' ' ' THR . 11.0 mmp_? -97.93 152.46 19.21 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 114' ' ' ARG . 7.2 p 36.01 79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.653 . . . . 0.0 111.045 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.7 mp -61.52 -39.58 91.52 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.667 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 11.9 t80 71.55 36.34 1.3 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.258 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.63 3.33 90.64 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 116' ' ' LEU . 5.7 m-85 -62.37 -39.43 93.16 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.409 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.65 103.26 2.63 Favored Glycine 0 C--N 1.33 0.207 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 118.0 -1.444 . . . . 0.0 111.037 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 tp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 39.4 mm -62.49 -45.76 98.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -62.65 -42.06 99.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.624 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 13.1 mptt -65.83 -38.61 89.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG22 ' CB ' ' A' ' 8' ' ' ALA . 31.9 mt 56.9 55.07 7.89 Favored Pre-proline 0 C--O 1.239 0.546 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 42.4 Cg_endo -65.42 -27.96 54.51 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.528 2.152 . . . . 0.0 111.925 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -64.09 -44.06 93.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -61.47 -39.25 90.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 75.7 mtp85 -62.51 -39.21 92.81 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.034 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.72 -43.28 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.8 -45.01 92.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.56 -38.82 91.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.817 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -63.54 -48.43 77.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.637 -0.825 . . . . 0.0 111.749 -178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 52.1 t -62.08 -45.29 99.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.911 0.862 . . . . 0.0 109.79 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 81' ' ' LEU . 49.0 m -62.51 -38.42 89.84 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.306 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.8 m-20 -61.4 -37.66 84.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -60.66 -40.77 93.29 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.2 m-30 -73.31 -42.03 62.85 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.166 -0.925 . . . . 0.0 108.942 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.569 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.8 m -82.59 12.35 4.73 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.864 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.602 ' C ' ' H ' ' A' ' 22' ' ' ASP . 8.8 t -44.91 -14.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.1 mttp -69.03 23.87 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.583 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' H ' ' C ' ' A' ' 20' ' ' THR . 61.9 t0 -71.81 43.86 0.1 Allowed 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -57.06 -23.3 45.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.101 -179.486 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 33.1 m-20 -171.63 0.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.1 mp -64.48 167.22 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.841 0.829 . . . . 0.0 111.23 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 99' ' ' THR . 62.8 ttm-85 -140.2 136.14 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.732 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -98.36 114.34 26.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.098 0.475 . . . . 0.0 111.671 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.505 HE21 HG23 ' A' ' 99' ' ' THR . 80.1 mm-40 -84.33 161.34 20.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.9 p -61.12 -21.6 63.88 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 99.4 mmm -67.87 -36.72 80.77 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -53.83 -43.12 69.17 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.15 -39.81 83.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.205 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.2 mmm -60.04 -36.97 78.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . -60.83 -38.89 87.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.937 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 31' ' ' ALA . 11.2 mp -63.06 -39.78 95.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.394 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.31 -41.08 90.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.839 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 79.4 mm-40 -66.62 -37.48 84.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.034 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.47 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.055 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.8 m -69.38 -42.58 74.96 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.161 -0.616 . . . . 0.0 111.649 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.4 pp20? -74.15 -33.43 63.51 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 37' ' ' GLU . . . -70.66 -41.16 72.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.513 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' OH ' HG11 ' A' ' 76' ' ' VAL . 53.2 t80 -63.18 -41.34 99.2 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.35 -48.52 69.96 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.119 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 40' ' ' GLU . 62.9 t -59.98 -41.42 86.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' O ' ' CG ' ' A' ' 49' ' ' HIS . . . -62.94 -40.59 99.47 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 114.416 -1.265 . . . . 0.0 110.697 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 50' ' ' THR . 54.1 tp -70.51 -45.24 65.98 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.766 0.793 . . . . 0.0 110.454 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.82 -49.11 78.79 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.526 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' A' ' 51' ' ' ASN . 99.8 mt-10 -72.86 -27.15 61.75 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.193 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 45' ' ' GLY . 63.1 m170 -94.73 -28.01 15.52 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 46' ' ' LEU . 14.7 t -70.06 -28.03 65.11 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.418 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 51' ' ' ASN . 15.3 p-10 -78.8 -14.68 59.13 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.375 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.47 -10.39 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' LEU . 88.1 mt -67.84 -32.41 72.92 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.45 23.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.255 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.53 -40.41 96.68 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.939 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -137.31 -28.31 0.93 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.815 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' LEU . 45.4 tp -102.62 135.88 43.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.289 0.566 . . . . 0.0 111.055 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.86 99.72 39.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.292 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -51.08 136.05 44.94 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.162 1.908 . . . . 0.0 112.216 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -151.15 169.54 21.63 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.181 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.41 18.38 79.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -60.64 -44.27 96.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.66 -22.94 66.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -84.59 103.43 13.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mm -100.93 92.76 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.517 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 p -116.53 -25.76 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.347 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.2 130.15 9.45 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 mp -68.25 118.02 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.073 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.0 mp -62.69 -43.29 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -63.07 -39.71 95.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.95 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.78 -44.83 93.72 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.222 -0.591 . . . . 0.0 110.244 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.01 -45.16 93.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.611 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.9 t -63.99 -39.66 86.24 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-O 122.017 0.913 . . . . 0.0 109.287 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -64.38 -44.89 89.93 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -27.45 63.44 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.636 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.57 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -81.16 -32.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 77' ' ' LEU . 67.4 mt -69.24 -36.77 77.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -57.98 -43.9 86.8 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.19 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -60.53 -45.22 94.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.54 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.873 ' O ' HG23 ' A' ' 84' ' ' VAL . 25.5 t80 -61.29 -52.27 65.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.357 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.454 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.9 mt -59.58 -46.67 88.26 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.229 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 36.9 mm-40 -59.04 -48.88 80.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 111.039 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -63.76 -37.45 87.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.707 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.9 t -59.61 -42.64 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.153 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 89' ' ' VAL . 97.7 mt -64.85 -43.41 96.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.466 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.1 -39.54 92.84 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.678 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -75.38 -33.94 61.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 111.588 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' THR . 68.5 m -73.68 -43.51 59.15 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.278 -177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 85' ' ' ILE . 79.3 t -65.15 -37.65 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 m -62.47 -49.74 74.22 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.072 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.4 -36.27 68.61 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 120.811 0.339 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 88' ' ' SER . 28.7 p -68.17 -47.43 68.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.65 -34.87 76.44 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.846 -0.742 . . . . 0.0 109.365 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -58.77 -37.07 75.46 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -101.31 21.92 13.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.62 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 39.17 33.31 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.875 -179.255 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -95.58 159.26 15.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.117 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -134.03 77.79 1.73 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.505 HG23 HE21 ' A' ' 28' ' ' GLN . 94.0 m -167.11 146.85 5.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.337 -177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.54 121.92 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.1 p -124.44 150.23 45.89 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 110.545 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 89.9 p -61.73 -21.3 64.4 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.763 0.792 . . . . 0.0 109.413 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.33 -47.85 66.43 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.341 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.57 -32.87 74.7 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.461 HG11 ' HB1' ' A' ' 34' ' ' ALA . 59.9 t -63.4 -43.02 98.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.65 -41.16 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.036 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -62.23 -40.32 95.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.077 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.01 -37.72 88.59 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.736 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.46 -46.19 90.97 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.43 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.53 -19.06 59.59 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.429 0.633 . . . . 0.0 110.439 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -65.28 -15.64 62.72 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.555 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.67 2.3 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.796 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -125.32 156.57 38.46 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.446 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.7 m 72.76 2.99 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.202 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.3 mp -62.46 147.99 47.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.879 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -98.26 9.39 43.1 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.49 2.37 35.18 Favored Glycine 0 N--CA 1.467 0.709 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -63.11 -39.29 94.25 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -86.6 101.93 2.68 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.028 -1.429 . . . . 0.0 111.023 179.737 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.8 pt -71.68 -12.79 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.702 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -61.46 -41.2 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.22 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 tttm 33.37 70.24 0.12 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.042 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 8' ' ' ALA . 41.2 mt 45.67 73.6 0.95 Allowed Pre-proline 0 C--O 1.235 0.292 0 CA-C-O 121.099 0.476 . . . . 0.0 110.519 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 10' ' ' LEU . 86.1 Cg_exo -49.83 -38.1 46.78 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.874 2.382 . . . . 0.0 112.121 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -59.04 -45.07 91.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.13 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 5' ' ' ILE . . . -58.39 -37.63 75.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 84.0 mtp180 -70.82 -39.48 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.578 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 6' ' ' PRO . 8.8 mp -69.95 -43.44 71.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.598 -178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 35' ' ' LEU . 10.5 p -68.75 -42.17 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.0 mtpt -63.0 -39.05 93.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.496 177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 7.4 mm-40 -67.12 -45.41 77.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.094 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 44.4 t -62.46 -45.37 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 CA-C-O 121.923 0.868 . . . . 0.0 109.023 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.82 HG22 HD13 ' A' ' 81' ' ' LEU . 41.7 p -66.78 -32.19 73.32 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.886 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -61.75 -37.14 83.17 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.091 -0.644 . . . . 0.0 109.509 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.55 -40.56 97.31 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.922 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD1' ' OE2' ' A' ' 82' ' ' GLU . 4.0 m-30 -72.77 -39.33 66.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.579 ' C ' ' N ' ' A' ' 21' ' ' LYS . 1.2 m -82.64 10.49 7.35 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.411 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 4.6 t -45.43 -14.88 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' GLN . 63.4 mttp -70.26 21.71 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.948 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 98.1 m-20 -70.37 39.54 0.05 OUTLIER 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.372 0.606 . . . . 0.0 109.506 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -50.16 -23.75 2.37 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.426 -179.521 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' H ' ' H ' ' A' ' 25' ' ' LEU . 27.5 m-20 -173.86 -0.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.081 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' H ' ' H ' ' A' ' 24' ' ' ASP . 11.0 mp -56.68 167.29 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 0.0 111.67 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' C ' HE22 ' A' ' 28' ' ' GLN . 39.8 ttm180 -138.92 137.08 36.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.427 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -101.48 113.16 26.02 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.874 0.845 . . . . 0.0 112.753 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.727 ' N ' ' CD ' ' A' ' 28' ' ' GLN . 9.8 mp0 -85.09 162.68 19.19 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.102 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 95.6 p -61.43 -23.47 65.86 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.741 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 75.9 mtm -68.3 -37.69 80.88 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.481 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -51.35 -41.53 60.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.37 -39.19 78.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.036 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.4 mmm -61.44 -37.94 85.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -59.4 -39.48 83.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.79 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 11' ' ' VAL . 1.1 mp -63.52 -38.39 90.97 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -67.17 -41.94 85.13 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 98.8 mt-10 -63.6 -38.71 92.14 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.901 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.4 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.5 t -66.06 -48.67 70.26 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.023 -0.671 . . . . 0.0 111.736 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.68 -29.51 68.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 37' ' ' GLU . . . -70.89 -41.92 70.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.34 0.59 . . . . 0.0 111.467 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' OH ' HG11 ' A' ' 76' ' ' VAL . 32.1 t80 -65.38 -38.59 90.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.807 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.87 -51.45 64.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.736 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -56.0 -40.27 62.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' O ' ' CD2' ' A' ' 49' ' ' HIS . . . -63.51 -42.66 98.88 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.592 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 50' ' ' THR . 56.1 tp -65.29 -47.46 76.55 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.844 0.83 . . . . 0.0 109.879 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.71 -48.77 80.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.075 -1.42 . . . . 0.0 109.295 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 9.3 mm-40 -62.76 -37.7 87.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.209 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 45' ' ' GLY . 52.4 m-70 -69.44 -32.5 71.48 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.818 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 46' ' ' LEU . 26.3 p -71.6 19.57 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.203 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 48' ' ' GLU . 3.3 p30 -83.3 4.81 25.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.835 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.3 -10.47 16.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.93 -27.77 68.42 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.374 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -63.48 -8.27 8.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.051 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.2 20.36 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 54' ' ' ALA . 64.1 t60 67.88 45.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.547 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.38 156.88 18.44 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.043 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.84 97.54 49.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.991 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.23 123.07 5.93 Favored 'Trans proline' 0 C--N 1.315 -1.213 0 C-N-CA 120.692 0.928 . . . . 0.0 110.424 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -71.0 -40.95 71.52 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.052 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.67 2.09 79.65 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.6 m -62.86 -41.59 99.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -139.65 -70.19 0.4 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.09 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 44.27 56.12 5.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.297 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.7 pt -143.32 48.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.319 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.2 m -60.96 -40.59 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.997 0.427 . . . . 0.0 110.073 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.19 -174.84 13.86 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.5 mt -93.51 102.67 14.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.047 0.451 . . . . 0.0 110.432 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.46 -42.57 96.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -62.0 -42.1 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.993 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -43.71 98.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.872 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.44 -46.5 88.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.063 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.1 t -64.83 -39.35 85.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 CA-C-O 122.001 0.905 . . . . 0.0 109.308 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -44.81 94.41 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.631 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.98 -27.14 62.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.761 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.492 HG11 ' OH ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -81.63 -33.16 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 77' ' ' LEU . 68.6 mt -68.24 -37.64 80.99 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -58.55 -43.91 89.48 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.208 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -60.65 -44.55 96.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.499 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.8 t80 -61.48 -52.33 64.97 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 15' ' ' THR . 98.4 mt -60.47 -45.83 92.3 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.39 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' OE2' ' CD1' ' A' ' 18' ' ' PHE . 42.4 mm-40 -59.2 -47.71 84.32 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.943 0.402 . . . . 0.0 110.942 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -63.27 -39.97 96.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.531 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -60.13 -40.83 84.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.239 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.52 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -65.21 -41.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 86' ' ' ARG . 1.1 mmp_? -62.79 -39.06 93.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.395 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -80.12 -22.95 41.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.182 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 92' ' ' THR . 60.7 p -84.43 -40.85 17.26 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.277 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' ILE . 86.5 t -67.53 -37.68 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.6 m -62.45 -50.01 73.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.072 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.62 -36.76 73.65 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 88' ' ' SER . 25.9 p -67.9 -47.81 67.76 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -61.26 -34.69 75.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.565 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.29 -38.91 81.35 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.62 23.23 11.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.087 -1.415 . . . . 0.0 108.409 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.73 43.48 0.1 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.22 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -101.1 159.0 15.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.081 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -129.12 78.22 1.84 Allowed 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.586 HG23 ' NE2' ' A' ' 28' ' ' GLN . 25.0 m -164.94 146.53 7.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.874 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 52.3 t -113.44 118.73 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.1 p -122.27 149.77 43.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.898 0.38 . . . . 0.0 110.466 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.511 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 p -62.45 -20.89 64.99 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.004 0.907 . . . . 0.0 108.821 178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 51.9 tp -67.77 -46.18 72.75 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.465 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.43 -34.96 78.9 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.73 -42.96 98.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 t -60.57 -42.06 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.826 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -61.32 -42.69 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.38 98.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.9 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.72 -38.8 90.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.745 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -59.86 -45.82 91.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.256 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -74.68 -20.17 59.98 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.537 0.684 . . . . 0.0 110.268 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.28 -13.39 58.31 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.55 20.74 8.77 Favored Glycine 0 N--CA 1.466 0.658 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.744 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' THR . 15.0 mmm180 -80.67 -72.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER 30.8 75.33 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.506 0.669 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.3 mm? -63.73 -38.13 89.97 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.506 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.1 t80 57.12 31.51 20.11 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.52 6.31 85.94 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -98.85 8.06 45.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.428 ' CA ' HD12 ' A' ' 116' ' ' LEU . . . -86.98 103.95 2.91 Favored Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.942 -1.477 . . . . 0.0 111.046 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.39 -45.32 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.25 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -61.65 -39.24 90.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.055 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -70.23 150.46 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.446 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 pt -135.54 70.45 66.59 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -53.04 -38.2 79.95 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 123.078 2.518 . . . . 0.0 112.263 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.71 -45.61 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.99 75.59 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 95.7 mtt-85 -71.14 -39.86 71.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.345 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.35 -43.42 77.51 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.5 p -69.36 -42.6 81.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' N ' HG13 ' A' ' 11' ' ' VAL . 59.4 mtpt -63.7 -39.22 93.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.696 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 17.3 mm-40 -65.4 -45.81 82.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.012 -0.675 . . . . 0.0 112.001 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 53.2 t -63.45 -46.76 94.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.924 0.869 . . . . 0.0 109.753 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.403 ' OG1' HD13 ' A' ' 81' ' ' LEU . 59.1 m -63.23 -38.68 92.12 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.005 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' THR . 99.6 m-20 -60.97 -38.68 86.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.644 0.259 . . . . 0.0 110.821 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.81 -40.27 92.1 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 4.9 m-30 -72.71 -42.51 64.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.544 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.9 m -81.0 10.84 4.58 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.666 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.587 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -45.82 -14.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.492 0.663 . . . . 0.0 109.293 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' GLN . 68.6 mttm -70.05 24.12 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.638 177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 20' ' ' THR . 3.9 m-20 -68.76 39.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.46 0.648 . . . . 0.0 109.665 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -56.39 -22.44 31.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.187 -179.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 34.4 m-20 -168.63 -5.18 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' H ' ' H ' ' A' ' 24' ' ' ASP . 10.4 mp -61.75 167.13 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.78 0.8 . . . . 0.0 110.595 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' H ' ' HA ' ' A' ' 99' ' ' THR . 42.5 ttm180 -140.74 137.22 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -98.92 113.2 25.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.181 0.515 . . . . 0.0 112.313 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.511 HE21 HG23 ' A' ' 99' ' ' THR . 78.9 mm-40 -85.04 162.76 19.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.791 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -25.48 66.48 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.4 mtt -65.35 -39.18 92.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.408 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -49.77 -40.79 42.42 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.365 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -69.98 -39.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.896 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.12 -37.03 81.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.49 -39.76 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.849 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' ALA . 0.9 OUTLIER -64.06 -37.86 88.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.14 -41.01 86.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.34 -39.43 92.37 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.967 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -46.9 81.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.472 -178.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 t -65.42 -48.26 73.41 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.662 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.6 pt-20 -69.13 -31.59 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -41.46 73.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.084 0.469 . . . . 0.0 110.921 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.525 ' OH ' HG11 ' A' ' 76' ' ' VAL . 31.6 t80 -65.02 -38.35 90.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.1 mt -62.09 -44.35 96.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.228 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLU . 66.9 t -58.51 -41.39 81.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.46 99.12 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.86 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 ' O ' ' N ' ' A' ' 50' ' ' THR . 41.2 tp -69.97 -42.35 73.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 122.073 0.94 . . . . 0.0 110.294 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -63.51 -48.1 78.98 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.439 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.37 -37.61 71.6 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 51' ' ' ASN . 99.1 m-70 -100.47 -39.45 7.94 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 46' ' ' LEU . 38.3 p 49.88 -81.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.715 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 72.29 10.54 5.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.976 0.417 . . . . 0.0 110.658 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' A' ' 54' ' ' ALA . 7.4 mp -63.66 10.61 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.71 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -56.34 -9.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' H ' ' C ' ' A' ' 52' ' ' LEU . . . -60.64 -42.82 97.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.925 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -100.77 -44.8 5.68 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.631 0.253 . . . . 0.0 111.325 -179.207 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' C ' HD12 ' A' ' 57' ' ' LEU . 90.2 m-70 -67.82 -41.18 83.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.826 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD12 ' C ' ' A' ' 56' ' ' HIS . 11.0 mp -110.87 167.52 10.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.0 p -115.49 93.77 37.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.469 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -55.43 148.54 51.65 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.634 2.223 . . . . 0.0 111.974 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -63.38 148.27 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.3 -7.64 77.99 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 53.85 76.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.614 0.245 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 65' ' ' ILE . 98.3 mttt -62.13 -40.06 94.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.02 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 46.11 14.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' LYS . 80.4 mt -61.83 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.967 -0.458 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m 48.99 38.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 65' ' ' ILE . . . -68.42 150.14 50.53 Favored Glycine 0 N--CA 1.453 -0.193 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 68' ' ' LEU . 11.1 mp -66.55 123.02 18.89 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.819 0.342 . . . . 0.0 110.426 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 73' ' ' VAL . 95.0 mt -63.5 -45.05 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -59.26 -45.69 90.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.467 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.06 -43.75 91.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.109 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.46 -42.06 99.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.688 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 69' ' ' ILE . 54.8 t -61.07 -37.27 76.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 122.274 1.035 . . . . 0.0 109.431 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -71.03 -46.73 61.59 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.338 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.52 -26.14 59.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.27 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.525 HG11 ' OH ' ' A' ' 42' ' ' TYR . 3.0 p -80.75 -34.65 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 77' ' ' LEU . 66.0 mt -67.61 -37.19 82.16 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.45 -43.7 88.9 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.158 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -61.2 -45.05 96.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.612 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.839 ' O ' HG23 ' A' ' 84' ' ' VAL . 23.6 t80 -61.29 -52.42 64.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.235 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD13 ' OG1' ' A' ' 15' ' ' THR . 92.7 mt -60.26 -46.59 89.28 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.529 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 33.2 mm-40 -59.15 -48.25 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.114 0.483 . . . . 0.0 110.981 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.3 m -64.13 -37.77 88.64 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.925 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 80' ' ' PHE . 53.2 t -59.92 -42.38 89.16 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.627 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.92 -44.37 97.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.473 ' O ' ' OG1' ' A' ' 90' ' ' THR . 81.9 mtp180 -61.56 -41.33 97.21 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.939 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -79.34 -22.9 43.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.475 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.835 ' O ' HG23 ' A' ' 92' ' ' THR . 67.3 m -83.24 -45.21 14.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.046 -177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' HA ' ' OG1' ' A' ' 92' ' ' THR . 5.5 p -71.0 -27.8 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 86' ' ' ARG . 19.1 m -63.58 -47.47 81.35 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.069 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -70.37 -36.47 74.18 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 88' ' ' SER . 63.3 p -68.31 -46.39 70.42 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 118.412 -1.315 . . . . 0.0 107.719 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -60.45 -35.84 76.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.049 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.25 -34.88 72.77 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 96' ' ' LYS . . . -105.72 26.59 9.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.877 -1.511 . . . . 0.0 108.919 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER 37.12 33.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.782 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -96.76 160.08 14.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.968 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.3 78.71 1.73 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.536 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 97.0 m -166.0 140.47 4.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.424 -177.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -96.32 123.48 48.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.6 p -126.54 149.43 49.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.117 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.5 p -64.13 -21.07 66.4 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.836 0.826 . . . . 0.0 109.422 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.39 -45.08 70.11 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.852 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -32.38 73.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.402 HG21 ' HB1' ' A' ' 34' ' ' ALA . 65.4 t -64.06 -42.75 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.38 -41.81 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.34 -40.61 97.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.82 96.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.241 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.64 -37.53 79.77 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.508 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.12 -43.35 99.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.929 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -74.97 -21.25 59.28 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-O 121.572 0.701 . . . . 0.0 110.752 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -76.76 -9.29 58.57 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.229 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.455 ' O ' HD13 ' A' ' 116' ' ' LEU . . . 112.38 17.53 8.13 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.843 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 115' ' ' THR . 5.2 tpt180 -102.16 174.25 6.01 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 121.173 0.511 . . . . 0.0 110.476 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 114' ' ' ARG . 1.9 m 60.36 30.06 19.51 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.847 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 113' ' ' GLY . 9.8 mp -80.51 136.01 36.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.098 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -102.72 9.81 38.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.79 6.23 52.68 Favored Glycine 0 N--CA 1.463 0.484 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -62.54 -39.31 93.19 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.74 104.03 2.5 Favored Glycine 0 CA--C 1.511 -0.203 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.052 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.9 pt -72.4 -13.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.763 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.262 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -84.75 -10.08 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.465 HG12 ' H ' ' A' ' 8' ' ' ALA . 17.0 tt 39.19 70.49 1.36 Allowed Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 122.353 1.073 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.22 -34.97 50.98 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -60.92 -44.31 97.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.734 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 5' ' ' ILE . . . -61.6 -40.0 93.22 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.3 -42.43 93.05 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.373 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.53 -44.2 78.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.213 0.53 . . . . 0.0 111.384 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 35' ' ' LEU . 70.3 t -64.96 -45.13 95.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -63.0 -38.95 93.26 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.662 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.29 -47.85 77.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.087 -0.645 . . . . 0.0 112.104 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 50.7 t -61.7 -45.16 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.419 ' OG1' HD13 ' A' ' 81' ' ' LEU . 63.6 m -62.94 -38.46 91.15 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.217 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' THR . 98.7 m-20 -61.28 -37.94 84.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.564 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -60.82 -40.94 94.63 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CG ' ' OE2' ' A' ' 82' ' ' GLU . 5.2 m-30 -71.94 -42.12 67.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.691 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.7 m -82.29 12.18 4.66 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.788 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.604 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.2 t -44.61 -15.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 98.2 mttt -68.7 25.85 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.184 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' THR . 51.3 t0 -74.2 48.13 0.31 Allowed 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -48.82 -47.17 42.6 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 23' ' ' GLN . 67.4 m-20 -150.17 1.37 0.47 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.73 -1.577 . . . . 0.0 111.174 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.1 mp -55.69 167.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.84 0.829 . . . . 0.0 111.536 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' CD ' HE22 ' A' ' 28' ' ' GLN . 59.6 ttt85 -140.89 137.62 33.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.462 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -101.99 114.2 28.11 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.224 0.535 . . . . 0.0 111.928 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.516 HE21 HG23 ' A' ' 99' ' ' THR . 80.2 mm-40 -85.27 164.26 18.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.302 177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -58.84 -34.37 71.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.2 mtt -60.56 -38.59 85.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.497 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' ALA . . . -49.75 -40.82 42.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.68 -39.05 75.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.025 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -60.64 -37.04 80.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 102' ' ' SER . . . -60.04 -38.21 82.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 11' ' ' VAL . 90.5 mt -64.96 -39.02 92.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.695 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -64.56 -41.2 96.46 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.44 -35.61 79.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.776 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.01 73.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.319 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -68.4 -41.99 79.65 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.06 -48.17 81.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.971 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.69 91.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' CE2' HG13 ' A' ' 73' ' ' VAL . 55.6 t80 -60.13 -42.57 95.08 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.046 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.18 -44.82 87.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.076 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.8 t -58.8 -41.57 83.02 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 49' ' ' HIS . . . -64.17 -41.81 98.22 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.733 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 ' O ' HG23 ' A' ' 50' ' ' THR . 58.6 tp -65.81 -46.65 77.83 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.916 0.865 . . . . 0.0 109.722 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.83 -48.36 80.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.157 -1.383 . . . . 0.0 108.708 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.82 -37.55 84.84 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.101 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CD2' ' O ' ' A' ' 45' ' ' GLY . 69.2 m-70 -67.19 -37.41 83.62 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.111 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 46' ' ' LEU . 61.7 p -70.4 -11.97 61.27 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.306 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 38.3 t30 -59.82 -38.1 81.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.609 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.27 -22.33 66.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.638 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.08 -27.17 69.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 56' ' ' HIS . . . -61.98 -7.77 4.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.08 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 90.2 mt -72.82 20.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.733 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.514 ' H ' ' C ' ' A' ' 54' ' ' ALA . 4.9 t-160 82.78 37.06 0.05 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.317 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 57' ' ' LEU . 9.1 mp -97.95 171.35 8.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' ' 58' ' ' VAL . 6.2 p -120.45 94.62 48.85 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.489 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.04 140.37 70.11 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 122.577 2.185 . . . . 0.0 112.508 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' O ' ' CD1' ' A' ' 65' ' ' ILE . 3.3 mmp_? -93.9 74.43 4.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.825 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.17 6.22 81.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -136.86 -167.46 2.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.834 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 65' ' ' ILE . 71.9 mmtt 64.77 26.24 12.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 66' ' ' SER . 40.8 ttp180 67.92 -36.49 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.433 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' ' 63' ' ' LYS . 37.3 mt 67.95 -19.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 O-C-N 123.266 0.354 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.556 ' H ' ' C ' ' A' ' 64' ' ' ARG . 10.2 m 56.26 7.26 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.376 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . -117.39 137.53 13.41 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.09 102.73 14.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.151 0.501 . . . . 0.0 110.327 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.41 -42.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.856 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -61.76 -39.34 91.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.922 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.29 -45.69 93.42 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.242 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 76' ' ' VAL . 98.2 mt-10 -62.57 -48.35 79.85 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.571 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 42' ' ' TYR . 61.4 t -62.99 -41.98 94.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.608 0.718 . . . . 0.0 109.243 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -63.84 -50.18 69.91 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.069 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.725 0.774 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 72' ' ' GLU . 52.7 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.25 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 77' ' ' LEU . 76.3 mt -68.34 -37.81 80.87 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -57.53 -43.43 84.33 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.099 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.6 t -60.75 -44.84 96.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.445 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 84' ' ' VAL . 21.3 t80 -61.09 -52.07 66.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.079 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' OG1' ' A' ' 15' ' ' THR . 91.6 mt -59.68 -46.56 88.7 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.291 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' OE2' ' CG ' ' A' ' 18' ' ' PHE . 38.5 mm-40 -58.84 -48.9 79.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.947 0.403 . . . . 0.0 111.029 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -63.38 -37.63 88.02 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.643 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 80' ' ' PHE . 54.7 t -59.63 -42.87 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.008 -178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 89' ' ' VAL . 98.2 mt -64.59 -43.53 96.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.601 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -61.51 -39.36 90.73 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -74.95 -33.08 61.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.703 0.763 . . . . 0.0 111.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 92' ' ' THR . 65.5 m -74.51 -43.57 55.3 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.812 -1.085 . . . . 0.0 111.313 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 85' ' ' ILE . 76.0 t -64.77 -37.24 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.3 m -61.88 -48.91 78.35 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.769 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -72.27 -36.73 69.1 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.135 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 88' ' ' SER . 40.0 p -69.18 -46.17 68.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -61.67 -34.95 76.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -59.49 -37.54 78.53 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 24.49 10.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.538 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? 33.44 41.82 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.086 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -101.89 159.25 15.51 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.311 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' OG1' ' A' ' 99' ' ' THR . 10.5 pttm -130.72 78.13 1.82 Allowed 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 178.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.516 HG23 HE21 ' A' ' 28' ' ' GLN . 86.7 m -166.83 151.07 7.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.45 123.12 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.2 p -126.53 150.82 48.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.88 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.524 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 94.6 p -62.32 -19.55 63.44 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.764 0.792 . . . . 0.0 109.32 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 103' ' ' LEU . 0.3 OUTLIER -70.5 -48.35 56.04 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.708 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.55 -32.72 73.73 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.407 HG11 ' HB1' ' A' ' 34' ' ' ALA . 60.9 t -64.15 -42.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.711 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.43 -42.02 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.843 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -61.99 -43.43 98.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.59 95.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.806 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.07 -37.81 81.69 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 115' ' ' THR . 65.3 tttp -60.33 -46.62 89.27 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.214 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -72.93 -19.51 61.24 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 121.342 0.592 . . . . 0.0 110.11 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -66.38 -10.67 45.74 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' HA2' HD11 ' A' ' 116' ' ' LEU . . . 103.39 15.8 22.21 Favored Glycine 0 N--CA 1.464 0.565 0 CA-C-N 114.444 -1.253 . . . . 0.0 111.891 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -67.19 -47.64 70.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.737 ' C ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -162.28 100.37 1.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.256 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.044 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -105.15 -17.74 14.38 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.114 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 20.5 t80 64.01 28.54 14.37 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.406 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.73 87.72 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -111.08 23.23 14.36 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.69 0.281 . . . . 0.0 111.364 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.02 103.39 2.35 Favored Glycine 0 N--CA 1.459 0.186 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.81 0 CA-C-O 118.012 -1.438 . . . . 0.0 111.191 179.806 . . . . . . . . 0 0 . 1 stop_ save_