data_2muv_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 2muv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.941 0.4 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.472 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.897 0.379 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.463 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.463 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.643 0.259 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 40.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.689 0.28 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 33' ' ' ILE . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.425 HD12 HG21 ' B' ' 35' ' ' ILE . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 39.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.695 0.284 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 33' ' ' ILE . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.41 HD12 HG21 ' C' ' 35' ' ' ILE . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.75 0.31 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.46 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.851 0.358 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 32' ' ' ILE . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.45 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 32' ' ' ILE . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.652 0.263 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.442 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.411 HD13 HG23 ' D' ' 35' ' ' ILE . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.44 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.479 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.795 0.331 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.449 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.436 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.436 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 35' ' ' ILE . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.443 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.459 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.93 0.395 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.413 HD13 HG22 ' C' ' 35' ' ' ILE . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.443 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.333 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.44 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.449 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 32' ' ' ILE . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.425 HD11 HG23 ' B' ' 35' ' ' ILE . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.419 HD11 HG23 ' C' ' 35' ' ' ILE . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.726 0.298 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.411 HD11 HG23 ' D' ' 35' ' ' ILE . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.43 HD12 HG21 ' B' ' 35' ' ' ILE . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.426 HD12 HG21 ' C' ' 35' ' ' ILE . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.726 0.298 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.7 t60 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.484 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 35' ' ' ILE . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.474 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.682 0.277 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.404 HG22 HD11 ' C' ' 35' ' ' ILE . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.487 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.5 t60 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.853 0.359 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.484 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.6 t60 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.487 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 35' ' ' ILE . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.468 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.436 HG21 HD13 ' C' ' 35' ' ' ILE . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.828 0.347 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.792 0.33 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.453 ' N ' ' CG2' ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.481 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.447 ' N ' ' CG2' ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.481 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.446 ' N ' ' CG2' ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 35' ' ' ILE . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.435 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.814 0.34 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' C' ' 42' ' ' ILE . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' D' ' 42' ' ' ILE . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.808 0.337 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.483 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.9 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.413 HD12 HG21 ' B' ' 32' ' ' ILE . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.483 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.42 HG23 HD12 ' C' ' 35' ' ' ILE . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.482 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.482 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG22 ' A' ' 32' ' ' ILE . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 30' ' ' ALA . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 32' ' ' ILE . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.884 0.373 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . 0.414 ' OD1' ' CB ' ' B' ' 30' ' ' ALA . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.464 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.768 0.318 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG22 ' D' ' 32' ' ' ILE . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.408 HD12 HG22 ' D' ' 35' ' ' ILE . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.962 0.411 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 35' ' ' ILE . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.997 0.427 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.42 HD11 HG23 ' C' ' 35' ' ' ILE . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.409 HD11 HG23 ' D' ' 35' ' ' ILE . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.442 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.458 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.777 0.323 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.442 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.748 0.309 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 HG21 ' B' ' 32' ' ' ILE . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 35' ' ' ILE . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.442 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.4 HD13 HG21 ' C' ' 35' ' ' ILE . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.785 0.326 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 32' ' ' ILE . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 45.8 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.477 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 45.3 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.477 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 45.2 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.682 0.277 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 46.2 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.317 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.764 0.316 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 35' ' ' ILE . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt . . . . . 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.472 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.467 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.639 0.257 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' ' OG ' ' A' ' 22' ' ' SER . 63.8 t-20 -87.95 116.0 25.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.39 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -90.87 0.87 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.51 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 78.2 p -60.41 -42.86 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -152.94 122.79 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.534 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 149.71 80.58 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.31 -19.14 44.3 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.653 2.235 . . . . 0.0 112.173 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.63 -42.75 99.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.84 -46.6 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.3 -43.56 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.456 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -58.05 -42.42 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.4 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.55 -43.82 95.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.426 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.36 -44.35 95.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.1 -46.65 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.725 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.87 147.49 52.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.588 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.526 ' ND2' ' OG ' ' B' ' 22' ' ' SER . 63.6 t-20 -88.48 115.58 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.443 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -90.69 1.4 56.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.526 ' OG ' ' ND2' ' B' ' 20' ' ' ASN . 78.5 p -61.03 -42.66 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.546 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.0 m -153.13 122.83 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.18 149.47 79.45 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.641 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.21 -18.67 45.03 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.696 2.264 . . . . 0.0 112.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.46 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 92.7 mt -63.21 -42.74 99.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.64 -46.65 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.61 -43.74 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.472 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.3 -40.8 98.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.2 -43.01 82.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.402 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.09 -44.16 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.02 -44.91 94.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.35 -47.04 62.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -132.46 147.37 52.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.473 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.671 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.534 ' ND2' ' OG ' ' C' ' 22' ' ' SER . 63.6 t-20 -88.23 115.95 26.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.495 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -90.87 1.57 56.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.534 ' OG ' ' ND2' ' C' ' 20' ' ' ASN . 77.9 p -61.08 -42.62 98.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -153.26 122.83 6.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.11 149.56 79.76 Favored Pre-proline 0 N--CA 1.45 -0.467 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.96 -19.13 46.39 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.765 2.31 . . . . 0.0 112.12 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.418 ' O ' ' ND2' ' D' ' 31' ' ' ASN . 94.5 mt -62.63 -42.96 99.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.085 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 88.1 t -63.89 -46.39 94.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.68 -43.52 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.463 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.36 -40.65 97.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.57 -42.28 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.83 -43.38 96.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.7 -44.25 94.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.2 -46.47 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.612 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -133.17 146.78 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.532 ' ND2' ' OG ' ' D' ' 22' ' ' SER . 63.4 t-20 -88.27 115.82 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -90.86 1.21 57.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.532 ' OG ' ' ND2' ' D' ' 20' ' ' ASN . 78.0 p -60.63 -42.88 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -153.03 122.94 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.539 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 149.59 80.22 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -18.96 44.64 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.89 -42.8 99.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.694 HG11 'BR ' ' C' ' 100' ' ' 3LW . 80.7 t -63.75 -46.54 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -43.82 94.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' C' ' 26' ' ' LEU . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.463 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -57.76 -42.17 83.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.454 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.62 -43.9 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.32 -44.46 94.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.93 -47.05 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.588 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.37 146.72 52.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.418 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.677 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.085 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.41 44.45 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.691 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -81.03 0.38 36.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.0 m -59.28 -41.91 90.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.712 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -71.37 93.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.66 149.88 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.437 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 -14.98 39.29 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.647 2.231 . . . . 0.0 112.206 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.76 -41.64 91.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 28' ' ' VAL . 3.2 m -64.74 -41.33 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 96.2 t -62.55 -45.03 99.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 40.2 mt -63.03 -40.55 98.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.66 -44.79 93.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 110.531 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 48' ' ' PHE . 25.1 mmt85 -68.92 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.31 -45.07 94.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 -179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -62.02 -46.95 86.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ARG . 13.1 m-85 -134.19 145.98 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.127 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 56.31 44.5 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -81.01 0.41 35.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.6 m -59.31 -41.9 90.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 70.7 m -71.41 94.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.422 . . . . 0.0 109.937 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.68 149.97 1.98 Allowed Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.08 -15.22 39.47 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.739 2.293 . . . . 0.0 112.081 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.724 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.738 HG13 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -64.73 -41.16 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.425 ' N ' ' CG2' ' B' ' 27' ' ' VAL . 95.5 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.668 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 33' ' ' ILE . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.425 HD12 HG21 ' B' ' 35' ' ' ILE . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 39.8 mt -63.09 -40.61 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.67 -44.68 93.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 48' ' ' PHE . 25.1 mmt85 -69.12 -22.05 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.053 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 90.6 m-85 -62.0 -46.92 87.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.797 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' B' ' 45' ' ' ARG . 13.2 m-85 -134.2 145.91 49.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.249 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.4 44.55 24.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -80.94 0.32 35.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.62 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 62.3 m -59.49 -41.75 90.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -71.51 94.04 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.74 150.12 1.97 Allowed Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.402 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.21 -15.1 38.88 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.659 2.24 . . . . 0.0 112.195 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.66 -41.79 91.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.745 ' HB ' 'BR ' ' C' ' 100' ' ' 3LW . 3.1 m -64.54 -41.33 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.427 ' N ' ' CG2' ' C' ' 27' ' ' VAL . 95.9 t -62.61 -44.93 99.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.824 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 33' ' ' ILE . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.41 HD12 HG21 ' C' ' 35' ' ' ILE . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt -62.95 -40.64 98.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.69 -44.81 93.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.516 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' C' ' 48' ' ' PHE . 25.1 mmt85 -68.85 -22.26 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.31 -44.95 95.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 110.062 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.11 -46.86 87.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' C' ' 45' ' ' ARG . 13.2 m-85 -134.24 145.96 49.64 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.348 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.57 44.49 23.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.653 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -80.96 0.32 36.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.596 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -59.4 -41.79 90.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.0 m -71.38 93.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.036 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -47.52 149.99 1.85 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.396 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.16 -15.07 39.05 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.75 2.3 . . . . 0.0 112.186 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.76 -41.63 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.775 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 3.2 m -64.74 -41.18 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.452 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.426 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 95.7 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.681 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.46 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 40.4 mt -63.12 -40.55 97.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.72 -44.79 93.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 0.0 110.518 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' D' ' 48' ' ' PHE . 25.1 mmt85 -68.86 -22.14 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.36 -45.01 95.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.911 0.386 . . . . 0.0 110.039 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.13 -46.84 87.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' D' ' 45' ' ' ARG . 13.2 m-85 -134.22 145.86 49.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.824 'BR ' ' ND2' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -84.73 119.79 25.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -62.96 -39.65 95.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.38 -44.54 95.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.5 m -117.39 98.97 6.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.25 84.62 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.422 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.73 -20.83 52.26 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.381 2.054 . . . . 0.0 112.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.3 mp -62.5 -43.48 98.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.497 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.75 -46.65 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.9 -44.61 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 32' ' ' ILE . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.66 -41.5 97.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.4 m-20 -61.21 -40.66 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.29 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 71.7 ttt180 -61.9 -41.21 97.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.44 -47.42 86.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.325 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.24 -46.25 89.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.8 m-85 -111.54 113.27 25.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.487 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.88 119.93 25.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -62.85 -39.87 95.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.32 -44.56 95.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.4 m -117.25 98.97 6.72 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.976 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.52 150.34 84.53 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.419 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.88 -20.85 51.23 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.484 2.123 . . . . 0.0 111.99 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -62.43 -43.49 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.559 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.69 -46.9 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.8 -44.34 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.73 -41.45 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.521 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.3 m-20 -61.31 -40.59 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.309 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 71.6 ttt180 -61.95 -41.11 97.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.46 -47.42 86.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.349 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -62.38 -46.24 89.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.8 m-85 -111.53 113.29 25.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.433 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.517 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.91 119.91 25.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -63.1 -39.68 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.2 -44.67 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.21 98.91 6.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.011 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.26 84.62 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.91 -20.7 51.15 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.456 2.104 . . . . 0.0 112.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.3 mp -62.53 -43.47 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.503 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.746 HG23 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -64.82 -46.64 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.475 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.95 -44.43 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.45 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.3 m-20 -61.32 -40.59 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.521 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 71.6 ttt180 -61.96 -41.2 97.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.37 -47.45 86.02 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.283 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -62.3 -46.23 89.67 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.631 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.4 m-85 -111.55 113.41 25.81 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.498 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.82 119.99 25.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -63.14 -39.54 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.697 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.37 98.89 6.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.024 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.33 150.19 84.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.47 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.78 -20.82 51.94 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.448 2.098 . . . . 0.0 112.067 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.3 mp -62.41 -43.61 98.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.499 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.951 HG12 'BR ' ' C' ' 100' ' ' 3LW . 77.8 t -64.6 -46.73 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.538 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -64.89 -44.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.45 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.83 -41.39 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.487 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.2 m-20 -61.28 -40.52 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.366 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 71.6 ttt180 -62.09 -41.03 97.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.49 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.217 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -62.29 -46.19 89.89 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.0 m-85 -111.56 113.35 25.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.484 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.539 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.951 'BR ' HG12 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -79.04 164.51 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -40.87 96.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.4 t -61.69 -42.01 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.46 130.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.994 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.06 105.88 0.47 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.367 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -50.9 -34.47 45.77 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.011 1.807 . . . . 0.0 112.526 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.77 -41.6 97.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.702 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.43 -45.26 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.449 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.05 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HD13 HG23 ' A' ' 32' ' ' ILE . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.33 -41.83 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' CG ' ' HE ' ' B' ' 45' ' ' ARG . 65.2 t0 -63.27 -42.08 99.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.615 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HE ' ' CG ' ' D' ' 44' ' ' ASP . 77.5 ttt-85 -76.37 -20.81 56.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.56 -45.09 94.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.789 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.91 -44.17 90.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 45' ' ' ARG . 6.1 m-85 -118.48 124.99 48.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.39 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.604 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.9 164.52 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.79 -40.82 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.443 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.97 -41.74 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.27 130.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.985 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -44.18 105.94 0.48 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.368 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.81 -34.64 45.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 122.049 1.833 . . . . 0.0 112.48 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.73 -41.64 97.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.42 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.04 -45.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.442 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.33 -41.77 98.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.504 ' CG ' ' HE ' ' C' ' 45' ' ' ARG . 65.7 t0 -63.28 -42.14 99.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.788 0.328 . . . . 0.0 110.627 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' HE ' ' CG ' ' A' ' 44' ' ' ASP . 77.5 ttt-85 -76.35 -20.92 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.5 -45.19 94.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.76 -44.32 90.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 45' ' ' ARG . 6.1 m-85 -118.34 125.28 49.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.422 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.631 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.74 164.6 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.92 -40.72 96.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.11 -41.76 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p 64.4 130.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -44.21 106.09 0.49 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.94 -34.55 46.47 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.041 1.827 . . . . 0.0 112.434 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.82 -41.53 97.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.314 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 76.8 t -62.42 -45.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.428 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.0 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 39.1 mt -62.27 -42.0 98.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.47 ' CG ' ' HE ' ' D' ' 45' ' ' ARG . 64.9 t0 -63.13 -41.94 99.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.576 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.504 ' HE ' ' CG ' ' B' ' 44' ' ' ASP . 77.3 ttt-85 -76.52 -20.89 56.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.796 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.52 -45.03 94.83 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -64.87 -44.25 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' C' ' 45' ' ' ARG . 6.1 m-85 -118.41 124.98 49.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.438 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.629 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.92 164.6 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -61.8 -40.86 96.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -61.71 -41.82 98.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.455 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.23 130.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.96 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -44.28 106.15 0.5 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.357 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.98 -34.47 46.38 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.008 1.805 . . . . 0.0 112.509 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.94 -41.5 98.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.475 HG11 'BR ' ' C' ' 100' ' ' 3LW . 75.3 t -62.36 -45.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.462 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.99 -45.43 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.411 HD13 HG23 ' D' ' 35' ' ' ILE . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.44 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.479 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.27 -41.93 98.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.503 ' CG ' ' HE ' ' A' ' 45' ' ' ARG . 64.9 t0 -63.12 -42.11 99.47 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.6 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.47 ' HE ' ' CG ' ' C' ' 44' ' ' ASP . 77.6 ttt-85 -76.39 -20.99 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.43 -45.07 94.77 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.91 -44.29 90.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' D' ' 45' ' ' ARG . 6.1 m-85 -118.36 125.03 49.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.588 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.314 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.41 -40.22 96.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -40.28 96.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.32 -42.23 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -137.74 115.99 11.82 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -77.55 153.66 81.33 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.325 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.2 -17.71 54.91 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.628 2.219 . . . . 0.0 111.915 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.09 -42.51 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.268 HG21 'BR ' ' C' ' 100' ' ' 3LW . 89.3 t -64.36 -45.06 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.83 -44.59 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.559 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -39.11 93.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -52.75 -42.37 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.2 mtp85 -60.75 -33.62 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.85 -47.51 86.01 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.63 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.63 -43.02 77.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 73.2 m-85 -123.05 134.42 54.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.653 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.35 -40.39 97.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.59 -40.17 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.44 -42.31 98.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -137.76 116.06 11.87 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.2 OUTLIER -77.55 153.72 81.34 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.4 -17.62 53.95 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.522 2.148 . . . . 0.0 111.867 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.86 -42.76 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.919 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 84.9 t -64.35 -45.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.273 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.73 -44.61 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.449 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.92 -39.06 93.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -53.01 -42.14 65.35 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 48' ' ' PHE . 78.3 mtp85 -60.57 -33.76 73.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.9 -47.39 86.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.562 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.68 -43.01 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' ARG . 73.4 m-85 -123.07 134.42 54.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.507 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.48 -40.27 96.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.44 -42.29 98.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -137.63 116.15 12.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.191 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.2 OUTLIER -77.68 153.76 80.99 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.283 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.28 -17.64 54.47 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.52 2.147 . . . . 0.0 111.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.04 -42.44 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.56 -45.04 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -44.53 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.598 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.436 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.83 -39.11 93.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -52.9 -42.39 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' C' ' 48' ' ' PHE . 78.3 mtp85 -60.44 -33.61 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.1 -47.39 86.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.482 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.69 -42.92 77.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' C' ' 45' ' ' ARG . 73.6 m-85 -123.13 134.46 54.21 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.526 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.51 -40.23 96.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.457 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.64 -40.25 96.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.35 -42.39 98.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -137.61 115.98 11.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.218 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.2 OUTLIER -77.5 153.73 81.45 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.336 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.3 -17.64 54.41 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.45 2.1 . . . . 0.0 111.962 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.06 -42.41 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.43 -45.17 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.403 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.67 -44.73 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.436 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.81 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.92 -42.18 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' D' ' 48' ' ' PHE . 78.2 mtp85 -60.71 -33.58 73.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -47.27 87.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.75 -43.05 76.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.5 m-85 -123.12 134.43 54.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.516 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.268 'BR ' HG21 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.33 106.67 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 66.2 t0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -143.55 119.28 10.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.07 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.96 150.94 69.84 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.41 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.21 -21.04 55.69 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.452 2.101 . . . . 0.0 112.055 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.3 mp -62.69 -41.65 99.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.464 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.87 -44.77 99.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -44.69 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.459 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.56 -42.21 96.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -62.94 -31.36 72.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.853 0.359 . . . . 0.0 110.534 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.02 -39.03 77.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.65 97.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.299 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m-85 -82.0 -8.83 59.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 85.3 m-85 -153.75 97.84 2.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' OXT' ' OD1' ' D' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.429 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.26 106.78 17.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 66.0 t0 -63.82 -36.23 83.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.2 -43.93 92.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -143.55 119.25 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.077 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.82 151.0 70.37 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.25 -21.11 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.455 2.103 . . . . 0.0 112.066 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -62.72 -41.57 99.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.442 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 1.229 HG21 'BR ' ' C' ' 100' ' ' 3LW . 82.5 t -62.78 -44.9 99.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.536 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.19 -44.82 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 35' ' ' ILE . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.443 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.459 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.52 -41.9 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.431 ' OD1' ' OXT' ' C' ' 49' ' ' LYS . 51.7 t0 -63.33 -31.11 72.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.457 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -58.2 -38.95 77.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' B' ' 46' ' ' LEU . 3.9 mm? -61.05 -41.7 97.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.38 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 25.2 m-85 -82.06 -8.62 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.44 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 85.3 m-85 -153.86 97.85 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.473 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.27 106.82 17.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 66.1 t0 -63.87 -35.99 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.23 -43.92 92.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -143.58 119.19 10.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.082 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.92 150.9 69.87 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.311 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.27 -20.83 55.43 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.33 2.02 . . . . 0.0 112.192 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.4 mp -62.89 -41.49 99.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.79 -44.96 99.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.517 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.08 -44.85 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 1.16 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.413 HD13 HG22 ' C' ' 35' ' ' ILE . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.443 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.55 -42.2 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' OD1' ' OXT' ' D' ' 49' ' ' LYS . 50.6 t0 -63.13 -31.18 72.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.463 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -58.06 -39.07 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' C' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.66 97.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.408 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 24.9 m-85 -81.9 -8.81 59.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -153.8 97.77 2.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.431 ' OXT' ' OD1' ' B' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.415 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.22 106.7 17.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 66.1 t0 -63.75 -36.15 82.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.467 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.15 -43.88 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -143.61 119.33 10.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.979 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 150.97 69.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.288 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.25 -21.03 55.42 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.491 2.127 . . . . 0.0 112.059 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.3 mp -62.76 -41.58 99.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.465 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.74 -45.05 99.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.43 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.1 -44.74 99.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.44 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -60.6 -41.88 95.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' OXT' ' A' ' 49' ' ' LYS . 51.1 t0 -63.4 -31.0 72.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.601 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.26 -38.94 77.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' D' ' 46' ' ' LEU . 3.9 mm? -61.18 -41.55 97.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.389 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 24.8 m-85 -82.07 -8.78 59.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' D' ' 47' ' ' PHE . 85.4 m-85 -153.73 97.87 2.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' OXT' ' OD1' ' C' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.51 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.229 'BR ' HG21 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -73.23 -12.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.48 -42.6 99.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -60.74 -42.3 97.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.36 83.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.11 152.27 7.94 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.208 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -21.03 58.9 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.362 2.042 . . . . 0.0 111.984 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.1 mp -62.61 -41.7 99.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.309 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.34 -44.66 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.04 -45.18 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.33 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.449 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.88 -40.84 98.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.3 86.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.515 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 48' ' ' PHE . 83.1 mtp180 -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.645 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.14 -46.37 89.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.14 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.79 -45.46 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.72 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.3 m-85 -131.53 136.54 47.95 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.693 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.33 -12.46 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.49 -42.56 99.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.71 -42.37 97.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.37 83.53 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.252 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 152.31 7.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.88 -20.91 58.07 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.292 1.995 . . . . 0.0 111.936 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.0 mp -62.71 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.14 -44.68 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.11 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.372 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 32' ' ' ILE . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.425 HD11 HG23 ' B' ' 35' ' ' ILE . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.94 -40.77 98.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -44.14 87.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.489 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.0 mtp180 -61.01 -29.83 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.04 -46.4 89.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -45.43 92.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.693 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.0 m-85 -131.62 136.5 47.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.603 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.26 -12.56 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.39 -42.59 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -60.76 -42.22 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.56 83.55 0.28 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.256 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.09 152.29 7.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.206 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.82 -20.98 58.46 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.205 1.937 . . . . 0.0 112.013 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.1 mp -62.51 -41.78 99.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.287 HG21 'BR ' ' C' ' 100' ' ' 3LW . 77.2 t -63.22 -44.6 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.475 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.23 -44.91 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.419 HG23 HD11 ' C' ' 35' ' ' ILE . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.461 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.94 -40.75 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.38 86.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' C' ' 48' ' ' PHE . 83.0 mtp180 -60.87 -29.74 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.2 -46.28 90.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.163 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.86 -45.49 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.599 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.0 m-85 -131.45 136.67 48.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.605 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -73.38 -12.47 60.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.45 -42.59 99.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.77 -42.21 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.54 83.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.25 152.33 8.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.118 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.87 -20.89 58.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.335 2.024 . . . . 0.0 112.066 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.1 mp -62.68 -41.72 99.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.854 HG13 'BR ' ' C' ' 100' ' ' 3LW . 78.2 t -63.08 -44.75 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.16 -44.99 99.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.383 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.411 HD11 HG23 ' D' ' 35' ' ' ILE . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.461 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.9 -40.96 99.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.9 mtp180 -60.97 -29.74 69.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.658 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -46.44 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.249 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -62.75 -45.5 92.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.678 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.0 m-85 -131.57 136.56 47.91 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.454 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.659 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.287 'BR ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.23 -40.61 97.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.23 -42.46 99.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.08 -43.69 98.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -91.01 95.25 10.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.176 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.91 150.89 96.02 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.346 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.02 -24.86 52.14 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.399 2.066 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.35 -40.81 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.26 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.185 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 69.0 t -61.28 -49.37 84.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' D' ' 26' ' ' LEU . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.49 -46.24 90.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.3 t0 -64.42 -36.62 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.432 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.5 ttt85 -60.99 -38.71 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.53 -46.53 88.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.29 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.69 -45.21 93.84 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.497 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 45' ' ' ARG . 10.6 m-85 -131.13 134.6 46.71 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.637 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.13 -40.61 98.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.31 -42.47 99.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.14 -43.67 98.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -90.8 95.21 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.95 150.96 96.0 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.18 -24.83 50.98 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.33 2.02 . . . . 0.0 111.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 87.9 mt -66.26 -40.72 90.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.543 HG11 'BR ' ' C' ' 100' ' ' 3LW . 71.6 t -61.34 -49.39 84.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 111.009 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.83 -41.31 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.43 HD12 HG21 ' B' ' 35' ' ' ILE . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.5 -46.19 91.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 66.7 t0 -64.28 -36.73 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.6 ttt85 -61.04 -38.69 87.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.7 -46.57 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.18 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.64 -45.2 93.91 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.57 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' ARG . 10.5 m-85 -131.12 134.51 46.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.732 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.24 -40.62 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.27 -42.48 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.26 -43.59 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.94 95.34 10.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.128 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.96 150.99 95.99 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.21 -24.73 50.87 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.403 2.069 . . . . 0.0 111.784 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.52 -40.63 89.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.357 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.37 -49.32 84.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.025 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 30.8 m -68.87 -41.36 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.426 HG21 HD12 ' C' ' 35' ' ' ILE . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -60.42 -46.21 90.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.4 t0 -64.4 -36.58 84.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.7 ttt85 -61.07 -38.72 87.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.527 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.58 -46.58 88.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.22 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.71 -45.18 93.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 10.4 m-85 -131.21 134.56 46.59 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.327 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.713 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.28 -40.54 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.07 -43.78 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.88 95.21 10.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.255 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.83 151.03 95.72 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.39 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.2 -24.9 50.75 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.342 2.028 . . . . 0.0 111.878 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 87.9 mt -66.25 -40.83 90.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.271 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.34 -49.33 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -68.78 -41.37 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.44 -46.25 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.4 t0 -64.31 -36.81 85.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.6 ttt85 -60.87 -38.84 86.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.601 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.63 -45.29 93.51 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.51 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 10.4 m-85 -131.15 134.47 46.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.663 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.185 'BR ' ' HA ' ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.82 130.16 34.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.04 -41.68 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -60.82 -41.84 96.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 p -66.68 84.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.059 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 152.21 25.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.52 -20.15 54.19 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.579 2.186 . . . . 0.0 112.065 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.423 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.829 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 88.6 t -63.07 -44.6 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.98 -44.1 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 1.127 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.7 t60 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.484 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.28 -42.21 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.9 mtt-85 -75.43 -20.8 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.14 94.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.771 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.92 -44.62 95.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.95 154.04 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.541 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.87 130.06 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.84 -41.74 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -60.7 -41.8 95.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' B' ' 23' ' ' SER . 58.1 p -66.7 84.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.108 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.53 152.08 26.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -66.37 -20.08 55.16 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.62 2.213 . . . . 0.0 112.104 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.41 -43.33 99.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.446 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.08 -44.49 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.17 -44.08 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.406 HG22 HD11 ' B' ' 35' ' ' ILE . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.474 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 36.7 mt -63.13 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.2 -42.36 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.44 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.9 mtt-85 -75.51 -20.68 58.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.293 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.37 -45.14 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 110.796 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -62.81 -44.56 95.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.621 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.02 154.34 39.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.591 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -80.73 130.08 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.89 -41.67 99.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.99 -41.69 96.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' C' ' 23' ' ' SER . 59.8 p -66.75 84.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.63 152.19 26.95 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.349 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.47 -20.17 54.46 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.507 2.138 . . . . 0.0 112.047 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -43.26 99.24 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.527 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.04 -44.62 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.438 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.08 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.404 HG22 HD11 ' C' ' 35' ' ' ILE . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.487 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.5 t60 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt -63.15 -37.78 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.22 -42.37 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.0 mtt-85 -75.39 -20.89 58.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.34 -45.18 94.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.759 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -62.79 -44.61 95.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -148.87 154.14 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.605 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.96 130.01 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -41.8 99.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 65.2 m -60.71 -41.8 95.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 59.3 p -66.83 84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.73 152.2 27.75 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.341 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.42 -20.2 54.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 110.498 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.704 HG21 'BR ' ' C' ' 100' ' ' 3LW . 90.0 t -63.13 -44.39 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.11 -44.09 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.484 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.6 t60 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.487 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt -63.1 -37.79 88.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.22 -42.26 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.244 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.9 mtt-85 -75.56 -20.75 58.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.262 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.18 94.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.758 0.313 . . . . 0.0 110.75 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -62.95 -44.56 95.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.89 154.32 39.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.551 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.127 'BR ' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.569 ' HG ' ' N ' ' A' ' 20' ' ' ASN . 40.6 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.569 ' N ' ' HG ' ' A' ' 19' ' ' SER . 12.2 m120 -85.04 139.67 31.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.95 -0.94 57.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.68 -33.85 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.05 91.13 6.04 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.14 153.37 77.12 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.743 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -47.91 -38.75 31.5 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.27 1.98 . . . . 0.0 112.126 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.91 -42.92 99.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.51 -47.52 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -44.33 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 35' ' ' ILE . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.468 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.42 -44.71 95.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.6 t0 -63.35 -39.17 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.7 ttm-85 -80.16 -20.19 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' ILE . 49.6 tp -62.48 -46.45 88.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.608 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -70.24 -39.97 74.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.647 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 7.1 m-85 -123.66 129.85 51.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.563 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.579 ' HG ' ' N ' ' B' ' 20' ' ' ASN . 40.7 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.579 ' N ' ' HG ' ' B' ' 19' ' ' SER . 12.3 m120 -85.08 140.24 31.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -90.42 -0.88 57.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.57 -33.77 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m -81.07 91.07 6.05 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.1 153.13 77.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.727 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.62 -38.84 29.39 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.314 2.009 . . . . 0.0 112.129 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.04 -42.75 99.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.553 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.56 -47.56 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.67 -44.37 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.35 -44.57 95.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 65.7 t0 -63.52 -39.38 94.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.9 ttm-85 -79.87 -20.17 46.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.698 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' B' ' 42' ' ' ILE . 49.4 tp -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.694 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.43 -40.1 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.58 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' B' ' 45' ' ' ARG . 7.0 m-85 -123.44 130.16 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.358 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.482 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' C' ' 20' ' ' ASN . 40.9 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.57 ' N ' ' HG ' ' C' ' 19' ' ' SER . 12.0 m120 -85.34 139.92 31.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -90.33 -0.74 57.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -59.67 -33.58 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 59.8 m -81.12 90.26 6.03 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -78.52 153.07 78.7 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.77 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.56 -38.74 28.73 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.27 1.98 . . . . 0.0 112.131 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.12 -42.79 99.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.297 HG21 'BR ' ' C' ' 100' ' ' 3LW . 71.9 t -63.45 -47.27 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.69 -44.34 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.436 HG21 HD13 ' C' ' 35' ' ' ILE . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' C' ' 46' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.43 -44.4 95.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.6 t0 -63.62 -39.34 94.1 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.592 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.6 ttm-85 -79.83 -20.26 46.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' C' ' 42' ' ' ILE . 50.4 tp -62.59 -46.17 89.53 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.38 -39.89 74.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 7.0 m-85 -123.8 130.17 52.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.382 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.528 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.596 ' HG ' ' N ' ' D' ' 20' ' ' ASN . 40.9 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.596 ' N ' ' HG ' ' D' ' 19' ' ' SER . 12.2 m120 -85.41 140.06 31.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.246 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -90.31 -1.11 57.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.33 -33.55 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.48 91.01 6.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.973 0.416 . . . . 0.0 110.203 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.21 153.21 76.9 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.676 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.66 -39.01 29.94 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.301 2.001 . . . . 0.0 112.089 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.83 -42.78 99.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.448 HG13 'BR ' ' C' ' 100' ' ' 3LW . 75.8 t -63.56 -47.35 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.68 -44.4 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . 0.852 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.25 -44.75 95.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.6 t0 -63.34 -39.13 93.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.3 ttm-85 -79.99 -20.28 45.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' D' ' 42' ' ' ILE . 50.4 tp -62.58 -46.42 88.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.641 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.26 -39.76 74.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 7.1 m-85 -123.82 130.07 52.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.532 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.297 'BR ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.448 ' H1 ' ' H ' ' A' ' 20' ' ' ASN . 19.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' H ' ' H1 ' ' A' ' 19' ' ' SER . 97.9 m-20 55.56 33.84 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.495 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 22' ' ' SER . 42.7 p-10 -66.17 -34.15 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.497 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 19.9 m -59.79 -39.74 85.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 22' ' ' SER . 89.5 p 49.7 21.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.152 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 12.4 p-10 -44.85 106.69 0.56 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.93 -16.99 20.1 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.66 1.573 . . . . 0.0 112.381 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.9 mp -62.59 -42.51 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.553 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.98 -45.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.27 -44.16 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.36 -43.52 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -65.58 -44.04 87.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.376 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.9 ttt-85 -69.74 -17.92 63.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.591 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.52 -4.79 28.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.3 m-85 -132.05 147.54 52.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.667 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.609 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.458 ' H1 ' ' H ' ' B' ' 20' ' ' ASN . 20.0 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.458 ' H ' ' H1 ' ' B' ' 19' ' ' SER . 97.7 m-20 55.69 33.63 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 22' ' ' SER . 42.8 p-10 -66.11 -34.07 77.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 20.3 m -59.81 -39.78 86.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 22' ' ' SER . 89.6 p 49.74 21.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.068 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 12.4 p-10 -44.7 106.57 0.54 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.86 -16.94 20.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.659 1.573 . . . . 0.0 112.426 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.9 mp -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.471 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 1.328 HG23 'BR ' ' C' ' 100' ' ' 3LW . 83.7 t -64.04 -45.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.21 -44.2 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.453 ' N ' ' CG2' ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.481 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.27 -43.8 98.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.32 -44.06 89.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.0 ttt-85 -69.63 -17.96 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.2 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.598 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.5 -4.83 27.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' B' ' 45' ' ' ARG . 85.0 m-85 -132.11 147.53 52.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.627 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.47 33.8 21.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 22' ' ' SER . 42.6 p-10 -66.29 -34.06 77.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.519 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 19.9 m -59.81 -39.74 86.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' C' ' 22' ' ' SER . 89.4 p 49.64 22.09 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.022 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 12.3 p-10 -44.91 106.61 0.55 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.82 -16.99 20.4 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.617 1.545 . . . . 0.0 112.429 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.9 mp -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.511 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.573 HG12 'BR ' ' C' ' 100' ' ' 3LW . 81.0 t -64.11 -45.66 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.38 -44.15 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.447 ' N ' ' CG2' ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.465 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.481 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.35 -43.68 98.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.35 -44.08 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.51 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 48' ' ' PHE . 79.0 ttt-85 -69.77 -17.9 63.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.49 98.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.526 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -100.38 -4.64 28.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.251 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' C' ' 45' ' ' ARG . 85.6 m-85 -132.18 147.44 52.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 110.593 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.418 ' H1 ' ' H ' ' D' ' 20' ' ' ASN . 19.6 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.418 ' H ' ' H1 ' ' D' ' 19' ' ' SER . 97.8 m-20 55.7 33.55 21.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' D' ' 22' ' ' SER . 42.8 p-10 -66.05 -34.2 77.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.516 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 20.2 m -59.84 -39.62 85.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' D' ' 22' ' ' SER . 89.1 p 49.56 22.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 12.3 p-10 -44.74 106.63 0.55 Allowed Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.477 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.98 -16.89 20.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.6 1.533 . . . . 0.0 112.364 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.0 mp -62.72 -42.42 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.566 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -64.03 -45.86 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.564 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.05 -44.25 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.448 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.446 ' N ' ' CG2' ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.469 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.25 -43.69 98.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.385 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' D' ' 48' ' ' PHE . 79.0 ttt-85 -69.85 -17.8 63.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.79 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.31 -43.41 98.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.652 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.47 -4.81 28.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.208 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' D' ' 45' ' ' ARG . 85.4 m-85 -132.06 147.52 52.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 0.0 110.536 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.531 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.328 'BR ' HG23 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 55.69 34.26 22.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -67.06 -30.35 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.94 -41.36 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 p -65.01 87.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.879 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.05 150.04 4.47 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.57 -37.46 20.23 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.959 1.773 . . . . 0.0 112.501 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.4 mp -62.01 -41.54 98.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.429 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.06 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.12 -44.85 99.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 35' ' ' ILE . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.435 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.05 -43.35 99.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' CG ' HH12 ' B' ' 45' ' ' ARG . 68.4 t0 -61.42 -42.77 99.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.391 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.502 HH12 ' CG ' ' D' ' 44' ' ' ASP . 58.0 ttt85 -67.96 -19.92 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.02 -45.29 94.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -61.54 -46.91 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -153.72 157.49 39.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.501 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.68 34.36 23.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.05 -30.54 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -59.99 -41.36 91.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.409 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 23' ' ' SER . 60.7 p -64.86 86.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.97 150.16 4.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.692 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -46.74 -37.3 20.86 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.887 1.725 . . . . 0.0 112.542 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.4 mp -62.2 -41.31 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.22 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.09 -44.72 99.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.1 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.469 ' CG ' HH12 ' C' ' 45' ' ' ARG . 67.7 t0 -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.474 HH12 ' CG ' ' A' ' 44' ' ' ASP . 58.0 ttt85 -68.05 -19.96 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.13 -45.19 94.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.213 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.51 -46.8 88.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -153.69 157.72 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.551 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.495 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 55.68 34.21 22.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.96 -30.51 70.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.82 -41.44 91.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.524 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' C' ' 23' ' ' SER . 59.6 p -65.01 86.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.91 150.09 4.23 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.47 -37.47 19.75 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.969 1.78 . . . . 0.0 112.563 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.4 mp -62.15 -41.43 98.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.425 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.217 HG22 'BR ' ' C' ' 100' ' ' 3LW . 84.3 t -62.07 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.23 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.442 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' C' ' 42' ' ' ILE . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.08 -43.4 98.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.483 ' CG ' HH12 ' D' ' 45' ' ' ARG . 68.3 t0 -61.46 -42.66 99.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.386 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.469 HH12 ' CG ' ' B' ' 44' ' ' ASP . 58.2 ttt85 -68.2 -19.84 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.93 -45.27 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.344 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.53 -46.81 88.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -153.67 157.66 39.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.635 179.741 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.65 34.22 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.83 -30.73 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -59.72 -41.44 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' D' ' 23' ' ' SER . 60.5 p -64.93 86.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.844 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.04 150.26 4.3 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.63 -37.54 20.68 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.92 1.747 . . . . 0.0 112.556 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.3 mp -61.97 -41.46 98.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.822 HG12 'BR ' ' C' ' 100' ' ' 3LW . 83.4 t -62.1 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.2 -44.67 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' D' ' 42' ' ' ILE . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.09 -43.33 99.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.502 ' CG ' HH12 ' A' ' 45' ' ' ARG . 68.3 t0 -61.56 -42.73 99.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.387 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.483 HH12 ' CG ' ' C' ' 44' ' ' ASP . 58.0 ttt85 -67.91 -20.08 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.93 -45.3 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.267 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 87.2 m-85 -61.5 -46.79 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.77 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 92.7 m-85 -153.75 157.55 39.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.625 179.768 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.217 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.64 30.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.52 -3.35 49.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.23 -16.52 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -148.1 125.91 11.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.042 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 152.62 89.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.39 -20.34 54.91 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.505 2.137 . . . . 0.0 111.791 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.56 -43.7 98.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.492 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.8 -43.34 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.499 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.26 -43.69 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.399 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.483 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.9 mt -63.23 -40.36 97.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.6 m-20 -57.6 -44.19 85.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.468 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 49.6 mmm-85 -65.65 -37.29 86.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.05 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.01 -55.81 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.027 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.482 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.592 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.85 39.57 30.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -80.39 -3.29 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.37 -16.38 63.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.627 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -148.31 125.79 11.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.28 152.52 90.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.303 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.38 -20.32 54.98 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.469 2.113 . . . . 0.0 111.749 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -62.57 -43.76 98.01 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.472 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.939 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 79.0 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.27 -43.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.413 HD12 HG21 ' B' ' 32' ' ' ILE . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.483 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 36.1 mt -63.26 -40.22 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.8 m-20 -57.71 -44.33 85.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.308 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 49.8 mmm-85 -65.57 -37.34 86.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.93 -44.78 96.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.13 -56.03 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.044 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -136.05 147.58 47.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.571 179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.48 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -80.52 -3.27 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -65.32 -16.35 63.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -148.28 125.72 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.176 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.27 152.46 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.307 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.27 -20.41 55.63 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.633 2.222 . . . . 0.0 111.712 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.58 -43.74 98.06 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.419 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.67 -43.5 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.418 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.31 -43.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.592 ' HB2' 'BR ' ' C' ' 100' ' ' 3LW . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.42 HG23 HD12 ' C' ' 35' ' ' ILE . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.482 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt -63.18 -40.29 97.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 99.7 m-20 -57.57 -44.43 85.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 110.277 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 49.8 mmm-85 -65.5 -37.34 86.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.06 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -71.92 -55.7 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 111.086 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -136.47 147.76 47.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.89 39.72 30.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -80.72 -3.09 49.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.48 -16.53 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.668 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 39.6 t -148.08 125.55 11.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.388 . . . . 0.0 110.09 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.04 152.53 90.72 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.288 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.32 -20.41 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.659 2.239 . . . . 0.0 111.758 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.56 -43.73 98.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.467 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.74 -43.46 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.469 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.17 -43.57 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.482 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.0 mt -63.15 -40.43 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.546 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.7 m-20 -57.52 -44.31 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.39 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.525 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 49.6 mmm-85 -65.51 -37.37 86.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.05 -44.67 96.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.08 -56.02 6.34 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.017 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -136.08 147.79 48.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.563 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.939 'BR ' ' HA ' ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -62.96 -40.76 98.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 22' ' ' SER . 41.8 p-10 -64.13 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 62.6 m -60.15 -42.41 94.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.47 121.5 10.72 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.24 151.44 72.53 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.357 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.07 -20.82 49.99 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.648 2.232 . . . . 0.0 111.983 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.11 -47.21 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.19 -44.53 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 HD13 HG22 ' A' ' 32' ' ' ILE . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.71 -42.91 99.88 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.026 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -77.56 -23.27 50.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ILE . 54.6 tp -61.82 -44.96 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -89.64 -63.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.59 120.24 41.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.215 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.652 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.09 -40.71 98.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 22' ' ' SER . 41.5 p-10 -64.15 -34.74 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.515 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 62.4 m -60.14 -42.46 94.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -145.4 121.52 10.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.21 151.41 72.58 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.398 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 -20.74 50.19 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.588 2.192 . . . . 0.0 112.048 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.83 -42.12 99.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.672 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.05 -47.38 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.97 -44.62 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 30' ' ' ALA . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.409 HD13 HG22 ' B' ' 32' ' ' ILE . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.488 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' B' ' 46' ' ' LEU . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.13 -43.55 98.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.036 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -77.52 -23.28 50.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 42' ' ' ILE . 54.7 tp -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.7 -63.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.46 120.01 41.0 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.322 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 13.6 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.406 ' N ' ' OG ' ' C' ' 19' ' ' SER . 93.5 m-20 -63.06 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' C' ' 22' ' ' SER . 41.7 p-10 -63.92 -34.74 78.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 62.7 m -60.15 -42.42 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.39 121.56 10.81 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 151.39 72.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.07 -20.89 49.91 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.555 2.17 . . . . 0.0 112.01 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -42.15 99.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.271 HG12 'BR ' ' C' ' 100' ' ' 3LW . 72.8 t -63.01 -47.39 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t -66.06 -44.51 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.463 ' CG ' 'BR ' ' C' ' 100' ' ' 3LW . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.466 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.464 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' C' ' 46' ' ' LEU . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.03 -43.61 98.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.55 -42.97 99.88 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.101 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.57 -23.38 50.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.72 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' C' ' 42' ' ' ILE . 54.7 tp -61.81 -44.94 95.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.491 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.74 -63.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -107.72 120.28 41.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.903 0.383 . . . . 0.0 110.176 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.766 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' D' ' 20' ' ' ASN . 13.5 p . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.402 ' N ' ' OG ' ' D' ' 19' ' ' SER . 93.5 m-20 -63.24 -40.64 98.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' D' ' 22' ' ' SER . 41.9 p-10 -64.11 -34.65 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 63.0 m -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -145.47 121.57 10.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 151.35 72.47 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.29 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.9 -20.94 51.01 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.6 2.2 . . . . 0.0 112.053 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.75 -42.18 99.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.98 -47.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.01 -44.65 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.406 HD13 HG22 ' D' ' 32' ' ' ILE . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.408 HD12 HG22 ' D' ' 35' ' ' ILE . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.464 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.479 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' D' ' 46' ' ' LEU . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.73 -42.93 99.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.021 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.54 -23.27 50.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' D' ' 42' ' ' ILE . 54.9 tp -61.81 -44.92 95.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.75 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.51 120.11 41.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.261 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.711 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.271 'BR ' HG12 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.38 97.37 3.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.54 -39.73 94.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.55 -43.77 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 m -76.54 89.54 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.07 149.64 76.79 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.796 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.16 -38.55 14.51 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.861 1.707 . . . . 0.0 112.271 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.15 -41.27 97.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.87 -49.63 83.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.706 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.52 -41.62 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.59 -40.52 95.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 16.3 t70 -61.3 -40.15 93.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 37.3 mmt180 -68.31 -19.3 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 ' C ' ' H ' ' A' ' 48' ' ' PHE . 2.0 tt -62.15 -42.68 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.975 0.417 . . . . 0.0 109.965 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -68.11 1.44 2.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.729 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' H ' ' C ' ' A' ' 46' ' ' LEU . 85.5 m-85 -132.15 149.93 52.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.642 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.27 97.31 3.68 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -76.75 89.67 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.23 149.56 76.17 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -45.13 -38.42 14.19 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.801 1.668 . . . . 0.0 112.394 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.17 -41.37 97.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.7 -49.82 82.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -68.58 -41.45 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.411 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 35' ' ' ILE . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.6 -40.42 94.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 16.5 t70 -61.38 -40.14 93.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 37.2 mmt180 -68.26 -19.43 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' B' ' 48' ' ' PHE . 2.0 tt -62.09 -42.69 99.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.038 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -67.93 1.28 2.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.76 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.41 ' H ' ' C ' ' B' ' 46' ' ' LEU . 86.0 m-85 -132.07 149.96 52.28 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.672 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.717 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 79.0 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.41 ' N ' ' OG ' ' C' ' 19' ' ' SER . 99.5 m-20 -135.34 97.27 3.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.46 -39.74 94.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.71 -43.64 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.58 89.52 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.98 149.6 77.02 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.13 -38.58 14.38 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.957 1.772 . . . . 0.0 112.333 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.18 -41.33 97.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.177 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.61 -49.86 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.78 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -68.39 -41.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.443 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.42 HG23 HD11 ' C' ' 35' ' ' ILE . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.8 -40.27 94.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 16.3 t70 -61.44 -40.11 93.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.453 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 37.2 mmt180 -68.52 -19.22 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.691 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' C' ' 48' ' ' PHE . 2.1 tt -62.18 -42.69 99.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -68.12 1.43 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' C' ' 46' ' ' LEU . 85.7 m-85 -132.02 149.99 52.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.664 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.2 97.16 3.65 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.56 -39.66 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.58 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.862 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.3 149.6 76.0 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -45.11 -38.58 14.27 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.805 1.67 . . . . 0.0 112.223 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.17 -41.26 97.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 1.078 HG11 'BR ' ' C' ' 100' ' ' 3LW . 71.4 t -61.77 -49.71 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.772 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.47 -41.66 83.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.647 ' HB1' 'BR ' ' C' ' 100' ' ' 3LW . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.409 HD11 HG23 ' D' ' 35' ' ' ILE . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.442 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.458 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.58 -40.5 94.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.54 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 16.4 t70 -61.24 -40.17 93.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 37.2 mmt180 -68.34 -19.23 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' D' ' 48' ' ' PHE . 2.1 tt -62.04 -42.85 99.61 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -67.9 1.37 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.716 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' D' ' 46' ' ' LEU . 85.8 m-85 -132.17 149.94 52.27 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.698 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.078 'BR ' HG11 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 22' ' ' SER . 64.0 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.412 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 56.4 t-20 -63.54 -40.26 96.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.554 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.2 p-10 -83.75 3.62 32.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 19' ' ' SER . 95.0 p -61.01 -39.71 90.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -153.99 130.16 10.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.19 151.15 97.17 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 -15.38 39.88 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.89 2.393 . . . . 0.0 112.241 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.4 mp -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.166 HG13 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -61.49 -42.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.348 . . . . 0.0 110.389 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 96.2 t -63.99 -44.82 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.442 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.85 -40.42 95.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 63.8 t0 -58.94 -45.66 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.129 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 17.5 mmm180 -75.43 -23.11 56.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.42 -44.33 96.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -91.29 -64.77 1.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.015 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -99.83 121.31 41.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.51 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.63 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.444 ' O ' ' OG ' ' B' ' 22' ' ' SER . 62.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 35.2 p-10 -83.68 3.44 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 19' ' ' SER . 95.6 p -60.87 -39.77 90.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 39.9 m -153.98 130.12 10.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.048 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.14 151.2 97.2 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.459 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 -15.31 39.66 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.768 2.312 . . . . 0.0 112.262 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.4 mp -60.37 -40.54 91.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.461 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' B' ' 28' ' ' VAL . 3.3 m -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.382 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.457 ' N ' ' CG2' ' B' ' 27' ' ' VAL . 96.4 t -63.96 -44.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 HG21 ' B' ' 32' ' ' ILE . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 35' ' ' ILE . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.442 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.82 -40.54 95.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 63.7 t0 -58.78 -45.89 88.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.223 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 17.6 mmm180 -75.1 -23.29 57.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.4 -44.29 96.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.459 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.23 -64.78 1.08 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -99.84 121.36 41.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.385 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' C' ' 22' ' ' SER . 64.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 56.5 t-20 -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 36.0 p-10 -83.67 3.52 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' C' ' 19' ' ' SER . 95.9 p -61.05 -39.55 90.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.808 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.0 m -154.07 130.22 10.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.018 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.17 151.07 97.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.89 -15.34 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.87 2.38 . . . . 0.0 112.328 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.3 mp -60.51 -40.42 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' C' ' 28' ' ' VAL . 3.3 m -61.56 -42.72 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.444 ' N ' ' CG2' ' C' ' 27' ' ' VAL . 96.7 t -64.1 -44.8 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.533 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.4 HD13 HG21 ' C' ' 35' ' ' ILE . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.87 -40.25 94.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 63.7 t0 -59.05 -45.76 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.15 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.527 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 17.5 mmm180 -75.31 -23.23 57.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.22 -44.34 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.592 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -91.28 -64.91 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -99.67 121.48 41.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.553 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' D' ' 22' ' ' SER . 63.4 m . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -63.46 -40.21 96.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 35.0 p-10 -83.79 3.59 32.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' D' ' 19' ' ' SER . 96.1 p -61.05 -39.57 90.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.804 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -154.08 130.0 10.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -69.12 151.08 97.28 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.94 -15.3 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.91 2.407 . . . . 0.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.4 mp -60.38 -40.49 91.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.457 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 3.2 m -61.58 -42.74 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.431 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.454 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 96.7 t -64.1 -44.66 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.439 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.439 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.46 ' N ' ' CD1' ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.84 -40.43 95.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 63.5 t0 -58.77 -45.89 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 17.6 mmm180 -75.0 -23.47 58.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.31 -44.29 96.86 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.525 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -91.32 -64.68 1.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -99.85 121.23 40.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.681 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.166 'BR ' HG13 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -64.18 -39.35 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -73.56 -5.03 37.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.21 -43.57 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -119.47 99.66 6.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.78 152.34 69.06 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.365 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.21 -18.45 50.73 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.479 2.12 . . . . 0.0 111.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.17 -42.87 99.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.02 -44.6 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.333 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.29 -44.52 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 HD13 HG23 ' A' ' 32' ' ' ILE . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 45.8 tp -63.63 -41.57 98.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.3 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.0 ttt85 -56.5 -37.98 71.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 46' ' ' LEU . 10.4 mp -61.29 -43.24 99.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.364 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -63.23 -45.78 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.654 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ARG . 84.5 m-85 -129.06 133.7 47.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.572 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.23 -39.37 93.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.55 -4.85 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -60.24 -43.54 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.57 99.54 6.73 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.56 152.33 69.7 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.38 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.26 -18.31 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.506 2.137 . . . . 0.0 111.994 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 1.306 HG22 'BR ' ' C' ' 100' ' ' 3LW . 86.1 t -64.87 -44.69 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.29 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.477 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.471 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 45.3 tp -63.69 -41.53 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.4 -31.09 71.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' B' ' 48' ' ' PHE . 59.9 ttt85 -56.7 -37.85 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.482 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' B' ' 46' ' ' LEU . 10.4 mp -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.267 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -63.04 -45.97 89.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.653 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' B' ' 45' ' ' ARG . 84.3 m-85 -129.0 133.78 47.89 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.536 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.15 -39.46 94.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.39 -4.88 36.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -60.26 -43.55 96.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.485 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -119.66 99.63 6.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.142 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.72 152.43 69.36 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.367 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.17 -18.45 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.485 2.124 . . . . 0.0 111.939 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.25 -42.72 99.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.482 HG12 'BR ' ' C' ' 100' ' ' 3LW . 83.6 t -64.99 -44.67 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.24 -44.55 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . 0.534 ' ND2' ' S ' ' C' ' 100' ' ' 3LW . 8.3 m120 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.477 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 45.2 tp -63.72 -41.52 98.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.3 -31.17 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 59.9 ttt85 -56.71 -37.95 71.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.453 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' C' ' 46' ' ' LEU . 10.4 mp -61.26 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.368 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.19 -45.92 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 84.3 m-85 -129.07 133.75 47.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.53 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.07 -39.43 94.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.52 -5.09 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.22 -43.45 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.399 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.69 99.67 6.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.145 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.75 152.29 69.08 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.304 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.17 -18.42 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.466 2.111 . . . . 0.0 111.95 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.19 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.87 -44.69 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.367 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.4 -44.5 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 46.2 tp -63.74 -41.49 98.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.34 -31.05 71.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.0 ttt85 -56.79 -37.87 71.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' D' ' 46' ' ' LEU . 10.4 mp -61.35 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.349 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -63.18 -45.94 89.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' D' ' 45' ' ' ARG . 84.2 m-85 -128.96 133.74 47.93 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.53 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.306 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 25.5 p30 -92.31 143.37 26.46 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.7 -19.32 63.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.562 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -60.34 -41.86 94.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -99.16 94.73 6.66 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.126 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.9 150.8 56.54 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.61 -18.89 48.59 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.471 2.114 . . . . 0.0 112.14 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.7 mp -62.3 -42.81 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.514 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 1.305 HG23 'BR ' ' C' ' 100' ' ' 3LW . 89.7 t -64.89 -44.96 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.474 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.25 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.458 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.54 -46.63 89.45 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 1.8 p30 -67.05 -40.51 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.476 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 78.4 ttt-85 -71.05 -20.17 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.834 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.71 -46.11 91.06 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.49 -45.58 92.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.7 m-85 -139.68 150.4 44.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.53 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.795 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 25.6 p30 -92.3 143.25 26.59 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.728 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.56 -19.39 63.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.58 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -60.2 -41.86 93.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -99.24 94.88 6.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.092 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -85.0 150.76 56.14 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.388 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -67.47 -19.0 49.45 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.511 2.141 . . . . 0.0 112.201 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' B' ' 26' ' ' LEU . 9.6 mp -62.1 -42.94 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.588 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.798 HG12 'BR ' ' C' ' 100' ' ' 3LW . 88.9 t -64.77 -44.95 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.48 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.502 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.52 -46.76 88.97 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 1.8 p30 -66.91 -40.5 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.483 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 78.4 ttt-85 -71.1 -20.19 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.68 -45.99 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 110.183 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -62.63 -45.6 92.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.65 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.7 m-85 -139.63 150.49 45.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.651 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 25.5 p30 -92.43 143.21 26.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.624 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.67 -19.21 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 22.7 m -60.4 -41.9 94.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.622 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 12.3 t -99.11 94.76 6.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.002 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.85 150.75 56.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.377 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.74 -18.83 47.78 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.483 2.122 . . . . 0.0 112.069 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.7 mp -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.81 -44.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.34 -44.95 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.507 ' HB1' ' H5A' ' C' ' 100' ' ' 3LW . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.57 -46.54 89.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 1.8 p30 -67.2 -40.38 86.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 78.4 ttt-85 -71.21 -20.05 62.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.743 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.85 -46.02 91.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.846 0.355 . . . . 0.0 110.061 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -62.56 -45.57 92.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.8 m-85 -139.62 150.4 44.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.749 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.433 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 25.6 p30 -92.24 143.31 26.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.74 -19.44 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 21.2 m -60.23 -41.8 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -99.18 94.74 6.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.092 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.81 150.87 56.98 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.354 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.72 -18.81 47.95 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.467 2.111 . . . . 0.0 112.154 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.6 mp -62.24 -42.97 99.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.76 -44.88 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.41 -45.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.46 -46.69 89.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 1.8 p30 -66.92 -40.55 87.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.542 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 78.3 ttt-85 -71.13 -20.07 62.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.868 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.81 -46.13 90.85 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.071 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.48 -45.66 92.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.762 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.8 m-85 -139.57 150.42 45.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.753 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.305 'BR ' HG23 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -92.5 4.89 52.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.64 -9.27 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.61 -37.16 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -91.61 94.66 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 110.436 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.58 152.08 83.1 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -45.94 -39.14 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.607 2.205 . . . . 0.0 112.058 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.4 mp -64.63 -40.54 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.47 -51.23 75.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.735 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.59 -40.19 87.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 35' ' ' ILE . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.475 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt -62.26 -41.64 98.63 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' CG ' HH12 ' B' ' 45' ' ' ARG . 22.5 t70 -59.23 -45.37 91.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.572 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -66.71 -20.44 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.46 -49.55 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.091 0.472 . . . . 0.0 110.541 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.79 -43.71 92.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ARG . 8.5 m-85 -117.53 122.21 43.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.374 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.437 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.65 4.39 53.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.554 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.31 -9.3 58.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.485 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -61.7 -36.48 81.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -92.32 94.71 9.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.982 0.42 . . . . 0.0 110.558 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.84 151.93 82.49 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.732 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.04 -38.77 19.38 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.609 2.206 . . . . 0.0 112.025 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.3 mp -64.75 -40.56 95.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.36 -51.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -65.27 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.506 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.478 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' CG ' HH12 ' C' ' 45' ' ' ARG . 22.8 t70 -59.27 -44.63 92.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.496 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.7 mtt-85 -67.44 -20.49 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.43 -49.53 76.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 110.503 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -64.83 -43.37 93.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' B' ' 45' ' ' ARG . 8.4 m-85 -117.99 122.35 43.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.398 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.404 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.21 4.19 53.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.516 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -73.07 -8.78 57.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.2 -36.38 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.3 94.31 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.29 152.16 83.75 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.699 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.25 -38.7 20.39 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.619 2.213 . . . . 0.0 112.107 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.4 mp -64.8 -40.58 95.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.276 HG21 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -61.2 -51.5 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 m -65.43 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.472 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.478 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt -62.61 -42.01 99.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.482 ' CG ' HH12 ' D' ' 45' ' ' ARG . 22.6 t70 -59.02 -45.11 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -66.84 -20.77 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.22 -49.7 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.462 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.56 -43.61 93.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 8.6 m-85 -117.79 122.2 42.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.467 179.759 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.37 4.43 53.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.47 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -73.44 -8.66 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.38 -36.66 82.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.0 94.58 9.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -76.52 152.18 83.27 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.77 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -46.07 -39.32 20.09 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.605 2.203 . . . . 0.0 112.103 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.3 mp -64.32 -41.06 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.87 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.685 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -65.2 -40.38 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . 0.746 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.474 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.472 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.582 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt -62.5 -41.96 99.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.49 ' CG ' HH12 ' A' ' 45' ' ' ARG . 22.7 t70 -58.99 -44.87 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.582 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.7 mtt-85 -67.09 -20.38 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.719 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.67 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.373 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.87 -43.59 92.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 8.5 m-85 -117.77 122.62 43.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.445 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.276 'BR ' HG21 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -88.04 103.92 16.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -81.95 -7.12 59.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.532 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -60.41 -33.75 72.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 t -55.02 -16.6 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.187 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.24 104.35 0.35 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.441 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.0 -34.82 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.346 2.031 . . . . 0.0 112.28 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -47.69 84.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.399 -178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.45 -42.8 94.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.403 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.22 -44.3 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.658 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.467 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.23 -37.89 89.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.39 -41.46 93.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.643 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 80.4 ttt180 -78.52 -22.98 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.76 -50.44 72.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.606 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -73.65 -38.54 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 45.0 m-85 -100.73 118.49 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.459 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.573 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.41 103.73 16.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.93 -7.18 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.4 m -60.32 -33.96 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -54.76 -16.52 2.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.22 104.32 0.35 Allowed Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.357 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.25 -34.51 49.43 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.245 1.963 . . . . 0.0 112.237 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -48.08 82.72 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.418 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.99 -43.13 96.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.95 -44.42 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.618 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.464 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.18 -37.93 89.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.63 -41.07 94.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.444 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.4 ttt180 -78.75 -22.97 45.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.685 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.85 -50.28 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.569 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -73.82 -38.42 64.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' B' ' 45' ' ' ARG . 45.2 m-85 -100.9 118.22 36.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.526 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.468 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -89.07 103.42 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -81.49 -7.12 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -60.65 -33.69 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -54.97 -16.51 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.114 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.15 104.28 0.35 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.436 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 -34.64 49.61 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.377 2.051 . . . . 0.0 112.293 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.402 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 1.205 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 93.2 t -65.06 -43.09 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.89 -44.68 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.629 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.12 -37.86 88.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.52 -41.5 94.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 80.5 ttt180 -78.36 -22.95 47.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.617 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.93 -50.15 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.494 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -74.01 -38.04 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.773 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 45.0 m-85 -101.31 118.42 36.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.418 179.861 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.74 103.34 15.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.53 -6.98 59.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.9 m -60.56 -33.85 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 35.0 t -54.78 -16.79 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.05 104.25 0.34 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.04 -35.02 49.27 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.229 1.952 . . . . 0.0 112.221 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.16 -48.11 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.327 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.91 -43.3 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.369 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.9 -44.39 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.629 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.1 -37.93 89.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.29 93.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' D' ' 48' ' ' PHE . 80.4 ttt180 -78.75 -22.89 45.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.99 -49.9 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.6 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.27 -37.92 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' D' ' 45' ' ' ARG . 44.8 m-85 -101.49 118.18 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.205 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.941 0.4 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 35' ' ' ILE . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.517 ' H ' HD12 ' B' ' 35' ' ' ILE . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.897 0.379 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.514 ' H ' HD12 ' C' ' 35' ' ' ILE . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 35' ' ' ILE . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.643 0.259 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 42' ' ' ILE . 40.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.689 0.28 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.503 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.695 0.284 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.633 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.5 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.75 0.31 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.633 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.617 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' HG23 ' D' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.851 0.358 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' A' ' 36' ' ' LEU . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 32' ' ' ILE . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.449 ' O ' HD13 ' B' ' 36' ' ' LEU . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 32' ' ' ILE . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.2 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.455 ' O ' HD13 ' C' ' 36' ' ' LEU . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.455 HD13 ' O ' ' C' ' 32' ' ' ILE . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.479 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' D' ' 36' ' ' LEU . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' D' ' 32' ' ' ILE . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' D' ' 42' ' ' ILE . 34.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.586 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' ILE . 39.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.652 0.263 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.586 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.0 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.559 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' HG23 ' C' ' 42' ' ' ILE . 39.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' D' ' 42' ' ' ILE . 38.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.795 0.331 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.68 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.68 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.568 HD12 ' N ' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.574 ' N ' HD12 ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.551 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.93 0.395 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.333 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.561 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.636 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.565 HD13 ' O ' ' C' ' 42' ' ' ILE . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.726 0.298 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.636 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.573 ' O ' HD13 ' D' ' 42' ' ' ILE . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 29' ' ' ALA . 30.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 29' ' ' ALA . 30.4 m . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.442 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' C' ' 29' ' ' ALA . 30.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.616 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.445 HG23 ' N ' ' D' ' 29' ' ' ALA . 30.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.445 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.623 ' O ' HG22 ' D' ' 42' ' ' ILE . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.623 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.726 0.298 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 40' ' ' LEU . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' N ' HG13 ' A' ' 39' ' ' ILE . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.409 HG13 ' N ' ' B' ' 40' ' ' LEU . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' HG13 ' B' ' 39' ' ' ILE . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.682 0.277 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.417 ' HD2' ' CD2' ' D' ' 38' ' ' LEU . 22.4 t-80 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.406 HG13 ' N ' ' C' ' 40' ' ' LEU . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' HG13 ' C' ' 39' ' ' ILE . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.853 0.359 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.409 ' HD2' ' CD2' ' A' ' 38' ' ' LEU . 22.7 t-80 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ILE . . . . . 0.412 HG13 ' N ' ' D' ' 40' ' ' LEU . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.412 ' N ' HG13 ' D' ' 39' ' ' ILE . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.455 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 43' ' ' LEU . 2.4 tt . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.639 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.597 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 43' ' ' LEU . 2.4 tt . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.639 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.494 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.63 HD23 ' O ' ' C' ' 43' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.647 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.498 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.609 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 43' ' ' LEU . 2.4 tt . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.828 0.347 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.792 0.33 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.511 HG23 ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.511 ' N ' HG23 ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.613 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.51 HG23 ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.51 ' N ' HG23 ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.613 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' B' ' 38' ' ' LEU . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.702 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.482 HG23 HD11 ' C' ' 38' ' ' LEU . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.656 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.702 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.51 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.814 0.34 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.495 HG23 HD11 ' D' ' 38' ' ' LEU . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.656 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.512 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.61 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.596 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.512 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.615 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.808 0.337 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.9 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' B' ' 38' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.506 HG22 ' O ' ' C' ' 38' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' D' ' 38' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' D' ' 42' ' ' ILE . 36.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 30' ' ' ALA . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.884 0.373 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ASN . . . . . 0.414 ' OD1' ' CB ' ' B' ' 30' ' ' ALA . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.768 0.318 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 29' ' ' ALA . 29.6 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.962 0.411 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' B' ' 29' ' ' ALA . 29.3 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.649 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' C' ' 29' ' ' ALA . 29.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.997 0.427 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.663 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.649 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.435 HG23 ' N ' ' D' ' 29' ' ' ALA . 29.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.435 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.663 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.777 0.323 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.748 0.309 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.487 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.785 0.326 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.492 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD21 ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 42' ' ' ILE . 45.8 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.574 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.577 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 45.3 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.574 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.428 ' N ' HG23 ' C' ' 42' ' ' ILE . 45.2 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.682 0.277 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.564 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.575 HD21 ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.432 ' N ' HG23 ' D' ' 42' ' ' ILE . 46.2 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.317 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.764 0.316 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.621 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.635 ' O ' HG22 ' C' ' 42' ' ' ILE . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.635 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.624 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.638 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 29' ' ' ALA . 19.2 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.414 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt . . . . . 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.4 HG23 ' N ' ' C' ' 29' ' ' ALA . 18.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.4 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.628 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.562 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.639 0.257 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.56 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.561 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' ' OG ' ' A' ' 22' ' ' SER . 63.8 t-20 -87.95 116.0 25.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.39 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -90.87 0.87 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.51 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 78.2 p -60.41 -42.86 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -152.94 122.79 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.534 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 149.71 80.58 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.31 -19.14 44.3 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.653 2.235 . . . . 0.0 112.173 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.63 -42.75 99.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.84 -46.6 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.3 -43.56 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 35' ' ' ILE . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -58.05 -42.42 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.4 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.55 -43.82 95.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.426 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.36 -44.35 95.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.1 -46.65 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.725 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.87 147.49 52.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.588 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.526 ' ND2' ' OG ' ' B' ' 22' ' ' SER . 63.6 t-20 -88.48 115.58 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.443 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -90.69 1.4 56.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.526 ' OG ' ' ND2' ' B' ' 20' ' ' ASN . 78.5 p -61.03 -42.66 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.546 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.0 m -153.13 122.83 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.18 149.47 79.45 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.641 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.21 -18.67 45.03 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.696 2.264 . . . . 0.0 112.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.46 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 92.7 mt -63.21 -42.74 99.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.64 -46.65 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.61 -43.74 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.517 ' H ' HD12 ' B' ' 35' ' ' ILE . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.3 -40.8 98.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.2 -43.01 82.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.402 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.09 -44.16 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.02 -44.91 94.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.35 -47.04 62.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -132.46 147.37 52.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.473 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.671 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.534 ' ND2' ' OG ' ' C' ' 22' ' ' SER . 63.6 t-20 -88.23 115.95 26.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.495 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -90.87 1.57 56.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.534 ' OG ' ' ND2' ' C' ' 20' ' ' ASN . 77.9 p -61.08 -42.62 98.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -153.26 122.83 6.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.11 149.56 79.76 Favored Pre-proline 0 N--CA 1.45 -0.467 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.96 -19.13 46.39 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.765 2.31 . . . . 0.0 112.12 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.418 ' O ' ' ND2' ' D' ' 31' ' ' ASN . 94.5 mt -62.63 -42.96 99.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.089 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 88.1 t -63.89 -46.39 94.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.68 -43.52 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.514 ' H ' HD12 ' C' ' 35' ' ' ILE . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.36 -40.65 97.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.57 -42.28 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.83 -43.38 96.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.7 -44.25 94.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.2 -46.47 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.612 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -133.17 146.78 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.532 ' ND2' ' OG ' ' D' ' 22' ' ' SER . 63.4 t-20 -88.27 115.82 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -90.86 1.21 57.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.532 ' OG ' ' ND2' ' D' ' 20' ' ' ASN . 78.0 p -60.63 -42.88 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -153.03 122.94 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.539 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 149.59 80.22 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -18.96 44.64 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.89 -42.8 99.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.629 HG13 'BR ' ' C' ' 100' ' ' 3LW . 80.7 t -63.75 -46.54 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -43.82 94.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' C' ' 26' ' ' LEU . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 35' ' ' ILE . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -57.76 -42.17 83.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.454 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.62 -43.9 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.32 -44.46 94.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.93 -47.05 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.588 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.37 146.72 52.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.418 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.677 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.089 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.41 44.45 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.691 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -81.03 0.38 36.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.0 m -59.28 -41.91 90.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.712 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -71.37 93.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' O ' HG22 ' A' ' 27' ' ' VAL . 4.7 m-20 -47.66 149.88 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.437 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 -14.98 39.29 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.647 2.231 . . . . 0.0 112.206 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.76 -41.64 91.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m -64.74 -41.33 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 96.2 t -62.55 -45.03 99.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 42' ' ' ILE . 40.2 mt -63.03 -40.55 98.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.66 -44.79 93.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 110.531 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 48' ' ' PHE . 25.1 mmt85 -68.92 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.3 tt -62.31 -45.07 94.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -62.02 -46.95 86.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ARG . 13.1 m-85 -134.19 145.98 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.127 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 56.31 44.5 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -81.01 0.41 35.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.6 m -59.31 -41.9 90.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 70.7 m -71.41 94.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.422 . . . . 0.0 109.937 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.415 ' O ' HG22 ' B' ' 27' ' ' VAL . 4.7 m-20 -47.68 149.97 1.98 Allowed Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.08 -15.22 39.47 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.739 2.293 . . . . 0.0 112.081 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.724 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.687 HG12 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -64.73 -41.16 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' N ' HG23 ' B' ' 27' ' ' VAL . 95.5 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.668 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.503 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.8 mt -63.09 -40.61 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.67 -44.68 93.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 48' ' ' PHE . 25.1 mmt85 -69.12 -22.05 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.053 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 90.6 m-85 -62.0 -46.92 87.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.797 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' B' ' 45' ' ' ARG . 13.2 m-85 -134.2 145.91 49.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.249 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.4 44.55 24.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -80.94 0.32 35.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.62 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 62.3 m -59.49 -41.75 90.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -71.51 94.04 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.418 ' O ' HG22 ' C' ' 27' ' ' VAL . 4.7 m-20 -47.74 150.12 1.97 Allowed Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.402 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.21 -15.1 38.88 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.659 2.24 . . . . 0.0 112.195 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.66 -41.79 91.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.759 ' HB ' 'BR ' ' C' ' 100' ' ' 3LW . 3.1 m -64.54 -41.33 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.44 ' N ' HG23 ' C' ' 27' ' ' VAL . 95.9 t -62.61 -44.93 99.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.824 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.633 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.5 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt -62.95 -40.64 98.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.69 -44.81 93.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.516 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' C' ' 48' ' ' PHE . 25.1 mmt85 -68.85 -22.26 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.638 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.3 tt -62.31 -44.95 95.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 110.062 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.11 -46.86 87.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' C' ' 45' ' ' ARG . 13.2 m-85 -134.24 145.96 49.64 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.348 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.57 44.49 23.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.653 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -80.96 0.32 36.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.596 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -59.4 -41.79 90.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.0 m -71.38 93.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.036 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.401 ' O ' HG22 ' D' ' 27' ' ' VAL . 4.6 m-20 -47.52 149.99 1.85 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.396 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.16 -15.07 39.05 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.75 2.3 . . . . 0.0 112.186 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.76 -41.63 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.775 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.2 m -64.74 -41.18 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.452 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.432 ' N ' HG23 ' D' ' 27' ' ' VAL . 95.7 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.681 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.633 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.617 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' HG23 ' D' ' 42' ' ' ILE . 40.4 mt -63.12 -40.55 97.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.72 -44.79 93.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 0.0 110.518 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' D' ' 48' ' ' PHE . 25.1 mmt85 -68.86 -22.14 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.3 tt -62.36 -45.01 95.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.911 0.386 . . . . 0.0 110.039 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.13 -46.84 87.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' D' ' 45' ' ' ARG . 13.2 m-85 -134.22 145.86 49.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.824 'BR ' ' ND2' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -84.73 119.79 25.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -62.96 -39.65 95.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.38 -44.54 95.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.5 m -117.39 98.97 6.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.25 84.62 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.422 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.73 -20.83 52.26 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.381 2.054 . . . . 0.0 112.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.5 -43.48 98.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.497 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.75 -46.65 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.9 -44.61 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' A' ' 36' ' ' LEU . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 32' ' ' ILE . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.66 -41.5 97.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.4 m-20 -61.21 -40.66 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.29 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 71.7 ttt180 -61.9 -41.21 97.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.6 tt -60.44 -47.42 86.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.325 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.24 -46.25 89.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.8 m-85 -111.54 113.27 25.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.487 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -84.88 119.93 25.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -62.85 -39.87 95.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.32 -44.56 95.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.4 m -117.25 98.97 6.72 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.976 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.52 150.34 84.53 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.419 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.88 -20.85 51.23 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.484 2.123 . . . . 0.0 111.99 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -62.43 -43.49 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.559 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.69 -46.9 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.8 -44.34 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.449 ' O ' HD13 ' B' ' 36' ' ' LEU . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 32' ' ' ILE . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.2 mt -61.73 -41.45 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.521 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.3 m-20 -61.31 -40.59 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.309 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 71.6 ttt180 -61.95 -41.11 97.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.61 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.6 tt -60.46 -47.42 86.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.349 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -62.38 -46.24 89.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.8 m-85 -111.53 113.29 25.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.433 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.517 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -84.91 119.91 25.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -63.1 -39.68 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.2 -44.67 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.21 98.91 6.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.011 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.26 84.62 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.91 -20.7 51.15 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.456 2.104 . . . . 0.0 112.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.3 mp -62.53 -43.47 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.503 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.795 HG22 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -64.82 -46.64 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.475 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.95 -44.43 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.455 ' O ' HD13 ' C' ' 36' ' ' LEU . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.455 HD13 ' O ' ' C' ' 32' ' ' ILE . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.479 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.3 m-20 -61.32 -40.59 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.521 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 71.6 ttt180 -61.96 -41.2 97.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.6 tt -60.37 -47.45 86.02 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.283 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -62.3 -46.23 89.67 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.631 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.4 m-85 -111.55 113.41 25.81 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.498 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -84.82 119.99 25.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -63.14 -39.54 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.697 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.37 98.89 6.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.024 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.33 150.19 84.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.47 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.78 -20.82 51.94 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.448 2.098 . . . . 0.0 112.067 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -62.41 -43.61 98.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.499 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.821 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 77.8 t -64.6 -46.73 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.538 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -64.89 -44.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' D' ' 36' ' ' LEU . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' D' ' 32' ' ' ILE . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' D' ' 42' ' ' ILE . 34.5 mt -61.83 -41.39 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.487 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.2 m-20 -61.28 -40.52 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.366 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 71.6 ttt180 -62.09 -41.03 97.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.616 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.6 tt -60.49 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.217 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -62.29 -46.19 89.89 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.0 m-85 -111.56 113.35 25.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.484 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.539 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.821 'BR ' ' CG1' ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -79.04 164.51 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -40.87 96.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.4 t -61.69 -42.01 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.46 130.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.994 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.06 105.88 0.47 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.367 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -50.9 -34.47 45.77 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.011 1.807 . . . . 0.0 112.526 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.77 -41.6 97.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.702 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.43 -45.26 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.449 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.05 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.586 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' ILE . 39.4 mt -62.33 -41.83 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' CG ' ' HE ' ' B' ' 45' ' ' ARG . 65.2 t0 -63.27 -42.08 99.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.615 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.543 ' HE ' ' CG ' ' D' ' 44' ' ' ASP . 77.5 ttt-85 -76.37 -20.81 56.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.56 -45.09 94.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.789 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.91 -44.17 90.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 45' ' ' ARG . 6.1 m-85 -118.48 124.99 48.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.39 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.604 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.9 164.52 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.79 -40.82 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.443 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.97 -41.74 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.27 130.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.985 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -44.18 105.94 0.48 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.368 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.81 -34.64 45.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 122.049 1.833 . . . . 0.0 112.48 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.73 -41.64 97.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.42 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.04 -45.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.586 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.0 mt -62.33 -41.77 98.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.543 ' CG ' ' HE ' ' C' ' 45' ' ' ARG . 65.7 t0 -63.28 -42.14 99.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.788 0.328 . . . . 0.0 110.627 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.52 ' HE ' ' CG ' ' A' ' 44' ' ' ASP . 77.5 ttt-85 -76.35 -20.92 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.5 -45.19 94.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.76 -44.32 90.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 45' ' ' ARG . 6.1 m-85 -118.34 125.28 49.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.422 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.631 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.74 164.6 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.92 -40.72 96.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.11 -41.76 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p 64.4 130.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -44.21 106.09 0.49 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.94 -34.55 46.47 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.041 1.827 . . . . 0.0 112.434 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.82 -41.53 97.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.318 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 76.8 t -62.42 -45.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.428 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.0 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.559 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' HG23 ' C' ' 42' ' ' ILE . 39.1 mt -62.27 -42.0 98.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HE ' ' D' ' 45' ' ' ARG . 64.9 t0 -63.13 -41.94 99.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.576 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.543 ' HE ' ' CG ' ' B' ' 44' ' ' ASP . 77.3 ttt-85 -76.52 -20.89 56.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.796 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.52 -45.03 94.83 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -64.87 -44.25 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' C' ' 45' ' ' ARG . 6.1 m-85 -118.41 124.98 49.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.438 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.629 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.92 164.6 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -61.8 -40.86 96.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -61.71 -41.82 98.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.455 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.23 130.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.96 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -44.28 106.15 0.5 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.357 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.98 -34.47 46.38 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.008 1.805 . . . . 0.0 112.509 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.94 -41.5 98.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG13 'BR ' ' C' ' 100' ' ' 3LW . 75.3 t -62.36 -45.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.462 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.99 -45.43 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' D' ' 42' ' ' ILE . 38.9 mt -62.27 -41.93 98.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.543 ' CG ' ' HE ' ' A' ' 45' ' ' ARG . 64.9 t0 -63.12 -42.11 99.47 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.6 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.509 ' HE ' ' CG ' ' C' ' 44' ' ' ASP . 77.6 ttt-85 -76.39 -20.99 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.43 -45.07 94.77 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.91 -44.29 90.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' D' ' 45' ' ' ARG . 6.1 m-85 -118.36 125.03 49.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.588 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.318 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.41 -40.22 96.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -40.28 96.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.32 -42.23 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -137.74 115.99 11.82 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 153.66 81.33 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.325 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.2 -17.71 54.91 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.628 2.219 . . . . 0.0 111.915 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.09 -42.51 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.317 HG22 'BR ' ' C' ' 100' ' ' 3LW . 89.3 t -64.36 -45.06 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.83 -44.59 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.559 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -39.11 93.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -52.75 -42.37 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.2 mtp85 -60.75 -33.62 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.85 -47.51 86.01 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.63 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.63 -43.02 77.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 73.2 m-85 -123.05 134.42 54.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.653 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -63.35 -40.39 97.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.59 -40.17 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.44 -42.31 98.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -137.76 116.06 11.87 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 153.72 81.34 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.4 -17.62 53.95 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.522 2.148 . . . . 0.0 111.867 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.86 -42.76 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.919 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 84.9 t -64.35 -45.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.273 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.73 -44.61 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.68 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.92 -39.06 93.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -53.01 -42.14 65.35 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 48' ' ' PHE . 78.3 mtp85 -60.57 -33.76 73.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.9 -47.39 86.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.562 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.68 -43.01 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' ARG . 73.4 m-85 -123.07 134.42 54.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.507 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.48 -40.27 96.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.44 -42.29 98.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -137.63 116.15 12.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.191 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.2 OUTLIER -77.68 153.76 80.99 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.283 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.28 -17.64 54.47 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.52 2.147 . . . . 0.0 111.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.04 -42.44 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.56 -45.04 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -44.53 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.598 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.68 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.568 HD12 ' N ' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.83 -39.11 93.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -52.9 -42.39 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' C' ' 48' ' ' PHE . 78.3 mtp85 -60.44 -33.61 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.1 -47.39 86.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.482 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.69 -42.92 77.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' C' ' 45' ' ' ARG . 73.6 m-85 -123.13 134.46 54.21 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.526 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.51 -40.23 96.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.457 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.64 -40.25 96.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.35 -42.39 98.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -137.61 115.98 11.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.218 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.2 OUTLIER -77.5 153.73 81.45 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.336 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.3 -17.64 54.41 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.45 2.1 . . . . 0.0 111.962 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.06 -42.41 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.43 -45.17 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.403 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.67 -44.73 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.574 ' N ' HD12 ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.81 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.92 -42.18 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' D' ' 48' ' ' PHE . 78.2 mtp85 -60.71 -33.58 73.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -47.27 87.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.75 -43.05 76.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.5 m-85 -123.12 134.43 54.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.516 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.317 'BR ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.33 106.67 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 66.2 t0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -143.55 119.28 10.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.07 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.96 150.94 69.84 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.41 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.21 -21.04 55.69 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.452 2.101 . . . . 0.0 112.055 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.69 -41.65 99.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.464 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.87 -44.77 99.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -44.69 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.56 -42.21 96.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -62.94 -31.36 72.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.853 0.359 . . . . 0.0 110.534 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.02 -39.03 77.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.65 97.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.299 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m-85 -82.0 -8.83 59.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 85.3 m-85 -153.75 97.84 2.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' OXT' ' OD1' ' D' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.429 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.26 106.78 17.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 66.0 t0 -63.82 -36.23 83.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.2 -43.93 92.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -143.55 119.25 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.077 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.82 151.0 70.37 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.25 -21.11 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.455 2.103 . . . . 0.0 112.066 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -62.72 -41.57 99.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.442 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 1.178 HG22 'BR ' ' C' ' 100' ' ' 3LW . 82.5 t -62.78 -44.9 99.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.536 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.19 -44.82 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.551 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.52 -41.9 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.431 ' OD1' ' OXT' ' C' ' 49' ' ' LYS . 51.7 t0 -63.33 -31.11 72.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.457 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -58.2 -38.95 77.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.504 ' N ' HD22 ' B' ' 46' ' ' LEU . 3.9 mm? -61.05 -41.7 97.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.38 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 25.2 m-85 -82.06 -8.62 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.44 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 85.3 m-85 -153.86 97.85 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.473 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.27 106.82 17.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 66.1 t0 -63.87 -35.99 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.23 -43.92 92.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -143.58 119.19 10.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.082 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.92 150.9 69.87 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.311 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.27 -20.83 55.43 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.33 2.02 . . . . 0.0 112.192 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.89 -41.49 99.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.79 -44.96 99.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.517 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.08 -44.85 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 1.16 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.55 -42.2 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' OD1' ' OXT' ' D' ' 49' ' ' LYS . 50.6 t0 -63.13 -31.18 72.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.463 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -58.06 -39.07 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.495 HD22 ' N ' ' C' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.66 97.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.408 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 24.9 m-85 -81.9 -8.81 59.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -153.8 97.77 2.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.431 ' OXT' ' OD1' ' B' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.415 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.22 106.7 17.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 66.1 t0 -63.75 -36.15 82.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.467 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.15 -43.88 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -143.61 119.33 10.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.979 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 150.97 69.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.288 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.25 -21.03 55.42 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.491 2.127 . . . . 0.0 112.059 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -62.76 -41.58 99.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.465 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.74 -45.05 99.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.43 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.1 -44.74 99.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.561 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -60.6 -41.88 95.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' OXT' ' A' ' 49' ' ' LYS . 51.1 t0 -63.4 -31.0 72.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.601 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.26 -38.94 77.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.506 ' N ' HD22 ' D' ' 46' ' ' LEU . 3.9 mm? -61.18 -41.55 97.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.389 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 24.8 m-85 -82.07 -8.78 59.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' D' ' 47' ' ' PHE . 85.4 m-85 -153.73 97.87 2.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' OXT' ' OD1' ' C' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.51 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.178 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -73.23 -12.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.48 -42.6 99.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -60.74 -42.3 97.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.36 83.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.11 152.27 7.94 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.208 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -21.03 58.9 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.362 2.042 . . . . 0.0 111.984 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 mp -62.61 -41.7 99.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.309 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.34 -44.66 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.04 -45.18 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.33 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.88 -40.84 98.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.3 86.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.515 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 48' ' ' PHE . 83.1 mtp180 -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.645 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -60.14 -46.37 89.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.14 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.79 -45.46 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.72 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.3 m-85 -131.53 136.54 47.95 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.693 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.33 -12.46 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.49 -42.56 99.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.71 -42.37 97.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.37 83.53 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.252 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 152.31 7.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.88 -20.91 58.07 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.292 1.995 . . . . 0.0 111.936 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.0 mp -62.71 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.14 -44.68 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.11 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.372 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.94 -40.77 98.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -44.14 87.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.489 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.0 mtp180 -61.01 -29.83 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -60.04 -46.4 89.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -45.43 92.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.693 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.0 m-85 -131.62 136.5 47.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.603 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.26 -12.56 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.39 -42.59 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -60.76 -42.22 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.56 83.55 0.28 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.256 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.09 152.29 7.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.206 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.82 -20.98 58.46 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.205 1.937 . . . . 0.0 112.013 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.1 mp -62.51 -41.78 99.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.373 HG22 'BR ' ' C' ' 100' ' ' 3LW . 77.2 t -63.22 -44.6 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.475 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.23 -44.91 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.636 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.565 ' O ' HD13 ' C' ' 42' ' ' ILE . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.94 -40.75 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.38 86.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' C' ' 48' ' ' PHE . 83.0 mtp180 -60.87 -29.74 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.621 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -60.2 -46.28 90.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.163 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.86 -45.49 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.599 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.0 m-85 -131.45 136.67 48.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.605 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -73.38 -12.47 60.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.45 -42.59 99.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.77 -42.21 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.54 83.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.25 152.33 8.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.118 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.87 -20.89 58.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.335 2.024 . . . . 0.0 112.066 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.68 -41.72 99.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.878 HG13 'BR ' ' C' ' 100' ' ' 3LW . 78.2 t -63.08 -44.75 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.16 -44.99 99.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.383 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.636 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.573 HD13 ' O ' ' D' ' 42' ' ' ILE . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.9 -40.96 99.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.9 mtp180 -60.97 -29.74 69.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.658 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.613 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -60.0 -46.44 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.249 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -62.75 -45.5 92.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.678 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.0 m-85 -131.57 136.56 47.91 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.454 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.659 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.373 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.23 -40.61 97.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.23 -42.46 99.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.08 -43.69 98.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -91.01 95.25 10.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.176 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.91 150.89 96.02 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.346 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.02 -24.86 52.14 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.399 2.066 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.35 -40.81 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.26 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.183 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 69.0 t -61.28 -49.37 84.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 29' ' ' ALA . 30.6 m -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' D' ' 26' ' ' LEU . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.49 -46.24 90.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.3 t0 -64.42 -36.62 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.432 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.5 ttt85 -60.99 -38.71 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.9 tt -59.53 -46.53 88.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.29 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.69 -45.21 93.84 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.497 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 45' ' ' ARG . 10.6 m-85 -131.13 134.6 46.71 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.637 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.13 -40.61 98.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.31 -42.47 99.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.14 -43.67 98.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -90.8 95.21 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.95 150.96 96.0 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.18 -24.83 50.98 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.33 2.02 . . . . 0.0 111.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 87.9 mt -66.26 -40.72 90.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.442 HG13 'BR ' ' C' ' 100' ' ' 3LW . 71.6 t -61.34 -49.39 84.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 111.009 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 29' ' ' ALA . 30.4 m -68.83 -41.31 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.442 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.5 -46.19 91.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 66.7 t0 -64.28 -36.73 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.6 ttt85 -61.04 -38.69 87.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.9 tt -59.7 -46.57 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.18 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.64 -45.2 93.91 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.57 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' ARG . 10.5 m-85 -131.12 134.51 46.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.732 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.24 -40.62 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.27 -42.48 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.26 -43.59 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.94 95.34 10.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.128 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.96 150.99 95.99 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.21 -24.73 50.87 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.403 2.069 . . . . 0.0 111.784 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.52 -40.63 89.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.357 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.37 -49.32 84.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.025 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' C' ' 29' ' ' ALA . 30.8 m -68.87 -41.36 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.616 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -60.42 -46.21 90.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.4 t0 -64.4 -36.58 84.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.7 ttt85 -61.07 -38.72 87.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.527 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.62 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.9 tt -59.58 -46.58 88.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.22 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.71 -45.18 93.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 10.4 m-85 -131.21 134.56 46.59 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.327 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.713 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.28 -40.54 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.07 -43.78 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.88 95.21 10.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.255 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.83 151.03 95.72 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.39 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.2 -24.9 50.75 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.342 2.028 . . . . 0.0 111.878 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 87.9 mt -66.25 -40.83 90.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.271 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.34 -49.33 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.445 HG23 ' N ' ' D' ' 29' ' ' ALA . 30.5 m -68.78 -41.37 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.445 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.623 ' O ' HG22 ' D' ' 42' ' ' ILE . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.623 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.44 -46.25 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.4 t0 -64.31 -36.81 85.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.6 ttt85 -60.87 -38.84 86.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.601 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.63 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.9 tt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.63 -45.29 93.51 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.51 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 10.4 m-85 -131.15 134.47 46.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.663 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.183 'BR ' ' HA ' ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -80.82 130.16 34.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.04 -41.68 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -60.82 -41.84 96.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 p -66.68 84.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.059 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 152.21 25.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.52 -20.15 54.19 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.579 2.186 . . . . 0.0 112.065 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.423 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 'BR ' ' C' ' 100' ' ' 3LW . 88.6 t -63.07 -44.6 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.98 -44.1 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 1.127 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 40' ' ' LEU . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' N ' HG13 ' A' ' 39' ' ' ILE . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.28 -42.21 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.9 mtt-85 -75.43 -20.8 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.14 94.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.771 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.92 -44.62 95.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.95 154.04 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.541 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -80.87 130.06 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.84 -41.74 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -60.7 -41.8 95.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' B' ' 23' ' ' SER . 58.1 p -66.7 84.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.108 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.53 152.08 26.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -66.37 -20.08 55.16 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.62 2.213 . . . . 0.0 112.104 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.41 -43.33 99.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.446 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.08 -44.49 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.17 -44.08 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.409 HG13 ' N ' ' B' ' 40' ' ' LEU . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' HG13 ' B' ' 39' ' ' ILE . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.44 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.7 mt -63.13 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.2 -42.36 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.44 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.9 mtt-85 -75.51 -20.68 58.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.293 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.37 -45.14 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 110.796 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -62.81 -44.56 95.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.621 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.02 154.34 39.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.591 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -80.73 130.08 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.89 -41.67 99.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.99 -41.69 96.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' C' ' 23' ' ' SER . 59.8 p -66.75 84.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.63 152.19 26.95 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.349 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.47 -20.17 54.46 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.507 2.138 . . . . 0.0 112.047 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -43.26 99.24 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.527 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.04 -44.62 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.438 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.08 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.417 ' HD2' ' CD2' ' D' ' 38' ' ' LEU . 22.4 t-80 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.406 HG13 ' N ' ' C' ' 40' ' ' LEU . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' HG13 ' C' ' 39' ' ' ILE . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt -63.15 -37.78 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.22 -42.37 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.0 mtt-85 -75.39 -20.89 58.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.34 -45.18 94.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.759 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -62.79 -44.61 95.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -148.87 154.14 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.605 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -80.96 130.01 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -41.8 99.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 65.2 m -60.71 -41.8 95.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 59.3 p -66.83 84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.73 152.2 27.75 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.341 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.42 -20.2 54.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 110.498 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.704 HG22 'BR ' ' C' ' 100' ' ' 3LW . 90.0 t -63.13 -44.39 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.11 -44.09 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.409 ' HD2' ' CD2' ' A' ' 38' ' ' LEU . 22.7 t-80 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ILE . . . . . 0.412 HG13 ' N ' ' D' ' 40' ' ' LEU . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.412 ' N ' HG13 ' D' ' 39' ' ' ILE . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.455 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt -63.1 -37.79 88.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.22 -42.26 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.244 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.9 mtt-85 -75.56 -20.75 58.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.262 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.18 94.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.758 0.313 . . . . 0.0 110.75 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -62.95 -44.56 95.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.89 154.32 39.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.551 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.127 'BR ' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -85.04 139.67 31.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.95 -0.94 57.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.68 -33.85 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.05 91.13 6.04 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.14 153.37 77.12 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.743 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -47.91 -38.75 31.5 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.27 1.98 . . . . 0.0 112.126 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.91 -42.92 99.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.51 -47.52 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -44.33 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -60.42 -44.71 95.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.6 t0 -63.35 -39.17 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.7 ttm-85 -80.16 -20.19 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' ILE . 49.6 tp -62.48 -46.45 88.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.608 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -70.24 -39.97 74.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.647 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 7.1 m-85 -123.66 129.85 51.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.563 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -85.08 140.24 31.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -90.42 -0.88 57.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.57 -33.77 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m -81.07 91.07 6.05 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.1 153.13 77.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.727 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.62 -38.84 29.39 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.314 2.009 . . . . 0.0 112.129 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.04 -42.75 99.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.553 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.56 -47.56 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.67 -44.37 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.639 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.597 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 43' ' ' LEU . 2.4 tt -60.35 -44.57 95.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 65.7 t0 -63.52 -39.38 94.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.9 ttm-85 -79.87 -20.17 46.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.698 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' B' ' 42' ' ' ILE . 49.4 tp -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.694 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.43 -40.1 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.58 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' B' ' 45' ' ' ARG . 7.0 m-85 -123.44 130.16 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.358 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.482 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -85.34 139.92 31.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -90.33 -0.74 57.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -59.67 -33.58 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 59.8 m -81.12 90.26 6.03 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -78.52 153.07 78.7 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.77 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.56 -38.74 28.73 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.27 1.98 . . . . 0.0 112.131 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.12 -42.79 99.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.394 HG22 'BR ' ' C' ' 100' ' ' 3LW . 71.9 t -63.45 -47.27 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.69 -44.34 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.639 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.494 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.63 HD23 ' O ' ' C' ' 43' ' ' LEU . 2.3 tt -60.43 -44.4 95.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.6 t0 -63.62 -39.34 94.1 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.592 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.6 ttm-85 -79.83 -20.26 46.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' C' ' 42' ' ' ILE . 50.4 tp -62.59 -46.17 89.53 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.38 -39.89 74.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 7.0 m-85 -123.8 130.17 52.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.382 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.528 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -85.41 140.06 31.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.246 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -90.31 -1.11 57.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.33 -33.55 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.48 91.01 6.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.973 0.416 . . . . 0.0 110.203 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.21 153.21 76.9 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.676 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.66 -39.01 29.94 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.301 2.001 . . . . 0.0 112.089 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.83 -42.78 99.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -47.35 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.68 -44.4 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.852 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.647 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.498 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.609 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 43' ' ' LEU . 2.4 tt -60.25 -44.75 95.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.6 t0 -63.34 -39.13 93.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.3 ttm-85 -79.99 -20.28 45.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' D' ' 42' ' ' ILE . 50.4 tp -62.58 -46.42 88.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.641 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.26 -39.76 74.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 7.1 m-85 -123.82 130.07 52.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.532 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.394 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.56 33.84 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' SER . 42.7 p-10 -66.17 -34.15 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 19.9 m -59.79 -39.74 85.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p 49.7 21.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.152 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 12.4 p-10 -44.85 106.69 0.56 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.93 -16.99 20.1 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.66 1.573 . . . . 0.0 112.381 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.9 mp -62.59 -42.51 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.553 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.98 -45.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.27 -44.16 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.36 -43.52 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -65.58 -44.04 87.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.376 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.9 ttt-85 -69.74 -17.92 63.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.591 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.52 -4.79 28.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.3 m-85 -132.05 147.54 52.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.667 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.609 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.69 33.63 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 22' ' ' SER . 42.8 p-10 -66.11 -34.07 77.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 20.3 m -59.81 -39.78 86.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 89.6 p 49.74 21.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.068 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 12.4 p-10 -44.7 106.57 0.54 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.86 -16.94 20.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.659 1.573 . . . . 0.0 112.426 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.9 mp -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.471 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 1.345 HG22 'BR ' ' C' ' 100' ' ' 3LW . 83.7 t -64.04 -45.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.21 -44.2 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.511 HG23 ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.511 ' N ' HG23 ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.613 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.27 -43.8 98.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.32 -44.06 89.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.0 ttt-85 -69.63 -17.96 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.2 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.598 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.5 -4.83 27.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' B' ' 45' ' ' ARG . 85.0 m-85 -132.11 147.53 52.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.627 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.47 33.8 21.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 22' ' ' SER . 42.6 p-10 -66.29 -34.06 77.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.519 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 19.9 m -59.81 -39.74 86.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p 49.64 22.09 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.022 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 12.3 p-10 -44.91 106.61 0.55 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.82 -16.99 20.4 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.617 1.545 . . . . 0.0 112.429 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.519 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.9 mp -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.511 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.62 HG13 'BR ' ' C' ' 100' ' ' 3LW . 81.0 t -64.11 -45.66 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.38 -44.15 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.51 HG23 ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.51 ' N ' HG23 ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.613 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.35 -43.68 98.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.35 -44.08 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.51 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 48' ' ' PHE . 79.0 ttt-85 -69.77 -17.9 63.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.49 98.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.526 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -100.38 -4.64 28.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.251 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' C' ' 45' ' ' ARG . 85.6 m-85 -132.18 147.44 52.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 110.593 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.7 33.55 21.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' D' ' 22' ' ' SER . 42.8 p-10 -66.05 -34.2 77.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.516 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 20.2 m -59.84 -39.62 85.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' D' ' 22' ' ' SER . 89.1 p 49.56 22.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 12.3 p-10 -44.74 106.63 0.55 Allowed Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.477 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.98 -16.89 20.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.6 1.533 . . . . 0.0 112.364 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.0 mp -62.72 -42.42 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.566 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -64.03 -45.86 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.564 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.05 -44.25 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.448 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.25 -43.69 98.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.385 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' D' ' 48' ' ' PHE . 79.0 ttt-85 -69.85 -17.8 63.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.79 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.31 -43.41 98.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.652 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.47 -4.81 28.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.208 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' D' ' 45' ' ' ARG . 85.4 m-85 -132.06 147.52 52.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 0.0 110.536 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.531 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.345 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 55.69 34.26 22.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -67.06 -30.35 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.94 -41.36 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 p -65.01 87.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.879 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.05 150.04 4.47 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.57 -37.46 20.23 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.959 1.773 . . . . 0.0 112.501 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.01 -41.54 98.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.429 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.06 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.12 -44.85 99.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' B' ' 38' ' ' LEU . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.702 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.05 -43.35 99.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' CG ' HH12 ' B' ' 45' ' ' ARG . 68.4 t0 -61.42 -42.77 99.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.391 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' D' ' 44' ' ' ASP . 58.0 ttt85 -67.96 -19.92 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.8 tt -62.02 -45.29 94.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -61.54 -46.91 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -153.72 157.49 39.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.501 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.68 34.36 23.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.05 -30.54 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -59.99 -41.36 91.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.409 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -64.86 86.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.97 150.16 4.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.692 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -46.74 -37.3 20.86 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.887 1.725 . . . . 0.0 112.542 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.4 mp -62.2 -41.31 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.22 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.09 -44.72 99.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.482 HG23 HD11 ' C' ' 38' ' ' LEU . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.656 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.702 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.51 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.1 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.485 ' CG ' HH12 ' C' ' 45' ' ' ARG . 67.7 t0 -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.486 HH12 ' CG ' ' A' ' 44' ' ' ASP . 58.0 ttt85 -68.05 -19.96 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.596 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.8 tt -62.13 -45.19 94.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.213 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.51 -46.8 88.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -153.69 157.72 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.551 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.495 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 55.68 34.21 22.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.96 -30.51 70.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.82 -41.44 91.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.524 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -65.01 86.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.91 150.09 4.23 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.47 -37.47 19.75 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.969 1.78 . . . . 0.0 112.563 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.15 -41.43 98.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.425 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.265 HG22 'BR ' ' C' ' 100' ' ' 3LW . 84.3 t -62.07 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.23 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.442 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.495 HG23 HD11 ' D' ' 38' ' ' LEU . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.656 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.512 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.61 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.08 -43.4 98.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.497 ' CG ' HH12 ' D' ' 45' ' ' ARG . 68.3 t0 -61.46 -42.66 99.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.386 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.485 HH12 ' CG ' ' B' ' 44' ' ' ASP . 58.2 ttt85 -68.2 -19.84 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.599 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.8 tt -61.93 -45.27 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.344 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.53 -46.81 88.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -153.67 157.66 39.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.635 179.741 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.65 34.22 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.83 -30.73 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -59.72 -41.44 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -64.93 86.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.844 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.04 150.26 4.3 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.63 -37.54 20.68 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.92 1.747 . . . . 0.0 112.556 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -61.97 -41.46 98.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.841 HG13 'BR ' ' C' ' 100' ' ' 3LW . 83.4 t -62.1 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.2 -44.67 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.596 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.512 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.615 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.09 -43.33 99.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' CG ' HH12 ' A' ' 45' ' ' ARG . 68.3 t0 -61.56 -42.73 99.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.387 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.497 HH12 ' CG ' ' C' ' 44' ' ' ASP . 58.0 ttt85 -67.91 -20.08 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.61 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.8 tt -61.93 -45.3 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.267 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 87.2 m-85 -61.5 -46.79 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.77 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 92.7 m-85 -153.75 157.55 39.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.625 179.768 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.265 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.64 30.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.52 -3.35 49.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.23 -16.52 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -148.1 125.91 11.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.042 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 152.62 89.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.39 -20.34 54.91 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.505 2.137 . . . . 0.0 111.791 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HG ' HD22 ' B' ' 31' ' ' ASN . 56.1 tp -62.56 -43.7 98.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.492 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.8 -43.34 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.499 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.26 -43.69 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.399 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.41 HD22 ' HG ' ' D' ' 26' ' ' LEU . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.9 mt -63.23 -40.36 97.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.6 m-20 -57.6 -44.19 85.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.468 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 49.6 mmm-85 -65.65 -37.29 86.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.05 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.01 -55.81 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.027 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.482 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.592 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.85 39.57 30.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -80.39 -3.29 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.37 -16.38 63.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.627 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -148.31 125.79 11.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.28 152.52 90.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.303 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.38 -20.32 54.98 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.469 2.113 . . . . 0.0 111.749 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' C' ' 31' ' ' ASN . 56.2 tp -62.57 -43.76 98.01 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.472 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.951 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 79.0 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.27 -43.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.405 HD22 ' HG ' ' A' ' 26' ' ' LEU . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' B' ' 38' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.1 mt -63.26 -40.22 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.8 m-20 -57.71 -44.33 85.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.308 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 49.8 mmm-85 -65.57 -37.34 86.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.93 -44.78 96.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.13 -56.03 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.044 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -136.05 147.58 47.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.571 179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.48 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -80.52 -3.27 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -65.32 -16.35 63.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -148.28 125.72 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.176 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.27 152.46 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.307 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.27 -20.41 55.63 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.633 2.222 . . . . 0.0 111.712 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.58 -43.74 98.06 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.419 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.67 -43.5 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.418 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.31 -43.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.598 ' HB2' 'BR ' ' C' ' 100' ' ' 3LW . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.506 HG22 ' O ' ' C' ' 38' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt -63.18 -40.29 97.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.529 ' CB ' HH12 ' D' ' 45' ' ' ARG . 99.7 m-20 -57.57 -44.43 85.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 110.277 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 49.8 mmm-85 -65.5 -37.34 86.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.06 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -71.92 -55.7 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 111.086 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -136.47 147.76 47.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.89 39.72 30.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -80.72 -3.09 49.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.48 -16.53 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.668 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 39.6 t -148.08 125.55 11.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.388 . . . . 0.0 110.09 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.04 152.53 90.72 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.288 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.32 -20.41 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.659 2.239 . . . . 0.0 111.758 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.41 ' HG ' HD22 ' A' ' 31' ' ' ASN . 56.4 tp -62.56 -43.73 98.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.467 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.74 -43.46 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.469 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.17 -43.57 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' D' ' 38' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' D' ' 42' ' ' ILE . 36.0 mt -63.15 -40.43 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.546 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.7 m-20 -57.52 -44.31 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.39 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.529 HH12 ' CB ' ' C' ' 44' ' ' ASP . 49.6 mmm-85 -65.51 -37.37 86.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.05 -44.67 96.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.08 -56.02 6.34 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.017 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -136.08 147.79 48.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.563 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.951 'BR ' ' HA ' ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -62.96 -40.76 98.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 22' ' ' SER . 41.8 p-10 -64.13 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 62.6 m -60.15 -42.41 94.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.47 121.5 10.72 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.24 151.44 72.53 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.357 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.07 -20.82 49.99 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.648 2.232 . . . . 0.0 111.983 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' HD21 ' B' ' 31' ' ' ASN . 74.0 t -63.11 -47.21 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.369 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.19 -44.53 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.71 -42.91 99.88 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.026 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -77.56 -23.27 50.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ILE . 54.6 tp -61.82 -44.96 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -89.64 -63.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.59 120.24 41.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.215 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.652 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.09 -40.71 98.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 22' ' ' SER . 41.5 p-10 -64.15 -34.74 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.515 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 62.4 m -60.14 -42.46 94.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -145.4 121.52 10.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.21 151.41 72.58 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.398 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 -20.74 50.19 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.588 2.192 . . . . 0.0 112.048 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.83 -42.12 99.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.672 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.05 -47.38 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.97 -44.62 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 27' ' ' VAL . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.13 -43.55 98.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.036 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -77.52 -23.28 50.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' B' ' 42' ' ' ILE . 54.7 tp -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.7 -63.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.46 120.01 41.0 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.322 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 13.6 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.406 ' N ' ' OG ' ' C' ' 19' ' ' SER . 93.5 m-20 -63.06 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' C' ' 22' ' ' SER . 41.7 p-10 -63.92 -34.74 78.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 62.7 m -60.15 -42.42 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.39 121.56 10.81 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 151.39 72.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.07 -20.89 49.91 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.555 2.17 . . . . 0.0 112.01 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -42.15 99.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.083 HG13 'BR ' ' C' ' 100' ' ' 3LW . 72.8 t -63.01 -47.39 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t -66.06 -44.51 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.463 ' CG ' 'BR ' ' C' ' 100' ' ' 3LW . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.03 -43.61 98.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.55 -42.97 99.88 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.101 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.57 -23.38 50.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.72 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' C' ' 42' ' ' ILE . 54.7 tp -61.81 -44.94 95.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.491 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.74 -63.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -107.72 120.28 41.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.903 0.383 . . . . 0.0 110.176 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.766 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' D' ' 20' ' ' ASN . 13.5 p . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.402 ' N ' ' OG ' ' D' ' 19' ' ' SER . 93.5 m-20 -63.24 -40.64 98.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' D' ' 22' ' ' SER . 41.9 p-10 -64.11 -34.65 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 63.0 m -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -145.47 121.57 10.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 151.35 72.47 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.29 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.9 -20.94 51.01 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.6 2.2 . . . . 0.0 112.053 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.75 -42.18 99.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.98 -47.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.01 -44.65 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.73 -42.93 99.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.021 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.54 -23.27 50.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' D' ' 42' ' ' ILE . 54.9 tp -61.81 -44.92 95.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.75 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.51 120.11 41.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.261 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.711 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.083 'BR ' HG13 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 20' ' ' ASN . 78.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' N ' ' OG ' ' A' ' 19' ' ' SER . 99.6 m-20 -135.38 97.37 3.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.54 -39.73 94.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.55 -43.77 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 m -76.54 89.54 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.07 149.64 76.79 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.796 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.16 -38.55 14.51 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.861 1.707 . . . . 0.0 112.271 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.15 -41.27 97.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.87 -49.63 83.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.706 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 29' ' ' ALA . 29.6 m -68.52 -41.62 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.59 -40.52 95.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 16.3 t70 -61.3 -40.15 93.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 37.3 mmt180 -68.31 -19.3 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.0 tt -62.15 -42.68 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.975 0.417 . . . . 0.0 109.965 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -68.11 1.44 2.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.729 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -132.15 149.93 52.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.642 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.27 97.31 3.68 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -76.75 89.67 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.23 149.56 76.17 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -45.13 -38.42 14.19 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.801 1.668 . . . . 0.0 112.394 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.17 -41.37 97.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.7 -49.82 82.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' B' ' 29' ' ' ALA . 29.3 m -68.58 -41.45 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.411 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.649 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.6 -40.42 94.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 16.5 t70 -61.38 -40.14 93.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 37.2 mmt180 -68.26 -19.43 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.62 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -62.09 -42.69 99.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.038 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -67.93 1.28 2.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.76 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.07 149.96 52.28 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.717 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 19' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 79.0 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.41 ' N ' ' OG ' ' C' ' 19' ' ' SER . 99.5 m-20 -135.34 97.27 3.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.46 -39.74 94.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.71 -43.64 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.58 89.52 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.98 149.6 77.02 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.13 -38.58 14.38 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.957 1.772 . . . . 0.0 112.333 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' D' ' 31' ' ' ASN . 91.7 mt -64.18 -41.33 97.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.177 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.61 -49.86 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.78 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' C' ' 29' ' ' ALA . 29.3 m -68.39 -41.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.443 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.663 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.649 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.8 -40.27 94.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 16.3 t70 -61.44 -40.11 93.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.453 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 37.2 mmt180 -68.52 -19.22 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.691 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.1 tt -62.18 -42.69 99.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -68.12 1.43 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -132.02 149.99 52.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.664 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.2 97.16 3.65 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.56 -39.66 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.58 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.862 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.3 149.6 76.0 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -45.11 -38.58 14.27 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.805 1.67 . . . . 0.0 112.223 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.17 -41.26 97.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.894 HG13 'BR ' ' C' ' 100' ' ' 3LW . 71.4 t -61.77 -49.71 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.772 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.435 HG23 ' N ' ' D' ' 29' ' ' ALA . 29.8 m -68.47 -41.66 83.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.435 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.656 ' HB3' 'BR ' ' C' ' 100' ' ' 3LW . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.578 HD21 ' HB3' ' C' ' 26' ' ' LEU . 63.4 m-20 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.663 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.58 -40.5 94.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.54 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 16.4 t70 -61.24 -40.17 93.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 37.2 mmt180 -68.34 -19.23 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.1 tt -62.04 -42.85 99.61 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -67.9 1.37 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.716 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.17 149.94 52.27 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.698 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.894 'BR ' HG13 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.412 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 56.4 t-20 -63.54 -40.26 96.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.554 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 36.2 p-10 -83.75 3.62 32.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 95.0 p -61.01 -39.71 90.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.744 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -153.99 130.16 10.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.8 m-20 -69.19 151.15 97.17 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 -15.38 39.88 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.89 2.393 . . . . 0.0 112.241 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.093 HG12 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -61.49 -42.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.348 . . . . 0.0 110.389 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 27' ' ' VAL . 96.2 t -63.99 -44.82 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.85 -40.42 95.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 63.8 t0 -58.94 -45.66 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.129 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 17.5 mmm180 -75.43 -23.11 56.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.42 -44.33 96.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -91.29 -64.77 1.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.015 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -99.83 121.31 41.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.51 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.63 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 35.2 p-10 -83.68 3.44 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 95.6 p -60.87 -39.77 90.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 39.9 m -153.98 130.12 10.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.048 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' B' ' 27' ' ' VAL . 3.8 m-20 -69.14 151.2 97.2 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.459 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 -15.31 39.66 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.768 2.312 . . . . 0.0 112.262 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.4 mp -60.37 -40.54 91.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.461 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.476 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.3 m -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.382 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.476 ' N ' HG23 ' B' ' 27' ' ' VAL . 96.4 t -63.96 -44.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.487 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.82 -40.54 95.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 63.7 t0 -58.78 -45.89 88.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.223 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 17.6 mmm180 -75.1 -23.29 57.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.4 -44.29 96.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.459 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.23 -64.78 1.08 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -99.84 121.36 41.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.385 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 56.5 t-20 -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -83.67 3.52 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 95.9 p -61.05 -39.55 90.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.0 m -154.07 130.22 10.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.018 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.444 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.8 m-20 -69.17 151.07 97.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.89 -15.34 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.87 2.38 . . . . 0.0 112.328 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -60.51 -40.42 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' N ' ' C' ' 28' ' ' VAL . 3.3 m -61.56 -42.72 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.479 ' N ' HG23 ' C' ' 27' ' ' VAL . 96.7 t -64.1 -44.8 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.533 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.87 -40.25 94.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 63.7 t0 -59.05 -45.76 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.15 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.527 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 17.5 mmm180 -75.31 -23.23 57.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.22 -44.34 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.592 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -91.28 -64.91 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -99.67 121.48 41.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.553 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -63.46 -40.21 96.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 35.0 p-10 -83.79 3.59 32.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 96.1 p -61.05 -39.57 90.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -154.08 130.0 10.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' D' ' 27' ' ' VAL . 3.9 m-20 -69.12 151.08 97.28 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.94 -15.3 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.91 2.407 . . . . 0.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.4 mp -60.38 -40.49 91.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.457 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.2 m -61.58 -42.74 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.431 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.474 ' N ' HG23 ' D' ' 27' ' ' VAL . 96.7 t -64.1 -44.66 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.492 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.84 -40.43 95.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 63.5 t0 -58.77 -45.89 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 17.6 mmm180 -75.0 -23.47 58.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.31 -44.29 96.86 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.525 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -91.32 -64.68 1.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -99.85 121.23 40.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.681 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.093 'BR ' HG12 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -64.18 -39.35 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -73.56 -5.03 37.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.21 -43.57 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -119.47 99.66 6.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.78 152.34 69.06 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.365 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.21 -18.45 50.73 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.479 2.12 . . . . 0.0 111.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' B' ' 31' ' ' ASN . 90.3 mt -62.17 -42.87 99.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.02 -44.6 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.333 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.29 -44.52 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.516 HD21 ' HB3' ' D' ' 26' ' ' LEU . 93.2 m-20 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD21 ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 42' ' ' ILE . 45.8 tp -63.63 -41.57 98.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.3 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.0 ttt85 -56.5 -37.98 71.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.4 mp -61.29 -43.24 99.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.364 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -63.23 -45.78 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.654 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ARG . 84.5 m-85 -129.06 133.7 47.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.572 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.23 -39.37 93.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.55 -4.85 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -60.24 -43.54 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.57 99.54 6.73 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.405 ' OD1' HG23 ' B' ' 27' ' ' VAL . 0.8 OUTLIER -81.56 152.33 69.7 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.38 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.26 -18.31 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.506 2.137 . . . . 0.0 111.994 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 1.462 HG22 'BR ' ' C' ' 100' ' ' 3LW . 86.1 t -64.87 -44.69 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.29 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.443 HD21 ' HB3' ' A' ' 26' ' ' LEU . 93.8 m-20 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.574 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.577 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 45.3 tp -63.69 -41.53 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.4 -31.09 71.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' B' ' 48' ' ' PHE . 59.9 ttt85 -56.7 -37.85 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.482 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.553 ' N ' HD12 ' B' ' 46' ' ' LEU . 10.4 mp -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.267 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -63.04 -45.97 89.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.653 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' B' ' 45' ' ' ARG . 84.3 m-85 -129.0 133.78 47.89 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.536 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.15 -39.46 94.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.39 -4.88 36.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -60.26 -43.55 96.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.485 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -119.66 99.63 6.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.142 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.401 ' OD1' HG23 ' C' ' 27' ' ' VAL . 0.8 OUTLIER -81.72 152.43 69.36 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.367 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.17 -18.45 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.485 2.124 . . . . 0.0 111.939 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.415 ' HB3' HD21 ' D' ' 31' ' ' ASN . 89.8 mt -62.25 -42.72 99.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.495 HG13 'BR ' ' C' ' 100' ' ' 3LW . 83.6 t -64.99 -44.67 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.24 -44.55 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.534 ' ND2' ' S ' ' C' ' 100' ' ' 3LW . 8.3 m120 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.574 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.428 ' N ' HG23 ' C' ' 42' ' ' ILE . 45.2 tp -63.72 -41.52 98.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.3 -31.17 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 59.9 ttt85 -56.71 -37.95 71.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.453 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.557 ' N ' HD12 ' C' ' 46' ' ' LEU . 10.4 mp -61.26 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.368 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.19 -45.92 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 84.3 m-85 -129.07 133.75 47.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.53 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.07 -39.43 94.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.52 -5.09 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.22 -43.45 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.399 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.69 99.67 6.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.145 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.4 ' OD1' HG23 ' D' ' 27' ' ' VAL . 0.8 OUTLIER -81.75 152.29 69.08 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.304 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.17 -18.42 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.466 2.111 . . . . 0.0 111.95 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.516 ' HB3' HD21 ' A' ' 31' ' ' ASN . 90.2 mt -62.19 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.4 HG23 ' OD1' ' D' ' 24' ' ' ASP . 84.2 t -64.87 -44.69 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.367 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.4 -44.5 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.415 HD21 ' HB3' ' C' ' 26' ' ' LEU . 93.2 m-20 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.564 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.575 HD21 ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.432 ' N ' HG23 ' D' ' 42' ' ' ILE . 46.2 tp -63.74 -41.49 98.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.34 -31.05 71.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.0 ttt85 -56.79 -37.87 71.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.557 HD12 ' N ' ' D' ' 46' ' ' LEU . 10.4 mp -61.35 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.349 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -63.18 -45.94 89.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' D' ' 45' ' ' ARG . 84.2 m-85 -128.96 133.74 47.93 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.53 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.462 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 25.5 p30 -92.31 143.37 26.46 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.7 -19.32 63.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.562 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -60.34 -41.86 94.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -99.16 94.73 6.66 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.126 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.9 150.8 56.54 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.61 -18.89 48.59 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.471 2.114 . . . . 0.0 112.14 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.7 mp -62.3 -42.81 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.514 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.343 HG22 'BR ' ' C' ' 100' ' ' 3LW . 89.7 t -64.89 -44.96 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.474 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.25 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.54 -46.63 89.45 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 1.8 p30 -67.05 -40.51 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.476 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 78.4 ttt-85 -71.05 -20.17 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.834 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.1 tt -61.71 -46.11 91.06 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.49 -45.58 92.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.7 m-85 -139.68 150.4 44.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.53 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.795 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 25.6 p30 -92.3 143.25 26.59 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.728 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.56 -19.39 63.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.58 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -60.2 -41.86 93.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -99.24 94.88 6.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.092 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -85.0 150.76 56.14 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.388 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -67.47 -19.0 49.45 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.511 2.141 . . . . 0.0 112.201 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.6 mp -62.1 -42.94 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.588 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.828 HG13 'BR ' ' C' ' 100' ' ' 3LW . 88.9 t -64.77 -44.95 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.48 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.502 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.52 -46.76 88.97 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 1.8 p30 -66.91 -40.5 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.483 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 78.4 ttt-85 -71.1 -20.19 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.612 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.1 tt -61.68 -45.99 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 110.183 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -62.63 -45.6 92.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.65 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.7 m-85 -139.63 150.49 45.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.651 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 25.5 p30 -92.43 143.21 26.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.624 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.67 -19.21 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 22.7 m -60.4 -41.9 94.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.622 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 12.3 t -99.11 94.76 6.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.002 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.85 150.75 56.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.377 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.74 -18.83 47.78 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.483 2.122 . . . . 0.0 112.069 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.523 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.7 mp -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.81 -44.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.34 -44.95 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.621 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.635 ' O ' HG22 ' C' ' 42' ' ' ILE . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.635 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.57 -46.54 89.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 1.8 p30 -67.2 -40.38 86.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 78.4 ttt-85 -71.21 -20.05 62.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.743 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.615 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -61.85 -46.02 91.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.846 0.355 . . . . 0.0 110.061 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -62.56 -45.57 92.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.8 m-85 -139.62 150.4 44.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.749 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.433 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 25.6 p30 -92.24 143.31 26.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.74 -19.44 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 21.2 m -60.23 -41.8 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -99.18 94.74 6.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.092 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.81 150.87 56.98 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.354 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.72 -18.81 47.95 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.467 2.111 . . . . 0.0 112.154 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.6 mp -62.24 -42.97 99.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.76 -44.88 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.41 -45.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.624 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.638 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.46 -46.69 89.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 1.8 p30 -66.92 -40.55 87.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.542 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 78.3 ttt-85 -71.13 -20.07 62.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.868 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.617 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -61.81 -46.13 90.85 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.071 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.48 -45.66 92.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.762 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.8 m-85 -139.57 150.42 45.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.753 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.343 'BR ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -92.5 4.89 52.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.64 -9.27 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.61 -37.16 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -91.61 94.66 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 110.436 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.58 152.08 83.1 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -45.94 -39.14 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.607 2.205 . . . . 0.0 112.058 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -64.63 -40.54 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.47 -51.23 75.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.735 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.59 -40.19 87.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt -62.26 -41.64 98.63 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.508 ' CG ' HH12 ' B' ' 45' ' ' ARG . 22.5 t70 -59.23 -45.37 91.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.572 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -66.71 -20.44 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -61.46 -49.55 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.091 0.472 . . . . 0.0 110.541 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.79 -43.71 92.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ARG . 8.5 m-85 -117.53 122.21 43.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.374 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.437 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.65 4.39 53.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.554 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.31 -9.3 58.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.485 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -61.7 -36.48 81.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -92.32 94.71 9.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.982 0.42 . . . . 0.0 110.558 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.84 151.93 82.49 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.732 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.04 -38.77 19.38 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.609 2.206 . . . . 0.0 112.025 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -64.75 -40.56 95.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.36 -51.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 29' ' ' ALA . 19.2 m -65.27 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.506 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.414 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.439 ' CG ' HH12 ' C' ' 45' ' ' ARG . 22.8 t70 -59.27 -44.63 92.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.496 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.7 mtt-85 -67.44 -20.49 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.603 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -61.43 -49.53 76.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 110.503 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -64.83 -43.37 93.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' B' ' 45' ' ' ARG . 8.4 m-85 -117.99 122.35 43.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.398 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.404 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.21 4.19 53.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.516 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -73.07 -8.78 57.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.2 -36.38 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.3 94.31 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.29 152.16 83.75 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.699 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.25 -38.7 20.39 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.619 2.213 . . . . 0.0 112.107 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.558 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -64.8 -40.58 95.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.295 HG22 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -61.2 -51.5 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.4 HG23 ' N ' ' C' ' 29' ' ' ALA . 18.9 m -65.43 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.4 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.628 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.562 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt -62.61 -42.01 99.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.492 ' CG ' HH12 ' D' ' 45' ' ' ARG . 22.6 t70 -59.02 -45.11 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -66.84 -20.77 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.611 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -61.22 -49.7 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.462 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.56 -43.61 93.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 8.6 m-85 -117.79 122.2 42.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.467 179.759 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.37 4.43 53.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.47 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -73.44 -8.66 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.38 -36.66 82.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.0 94.58 9.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -76.52 152.18 83.27 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.77 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -46.07 -39.32 20.09 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.605 2.203 . . . . 0.0 112.103 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -64.32 -41.06 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.87 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.685 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -65.2 -40.38 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ASN . . . . . 0.746 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.582 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt -62.5 -41.96 99.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.502 ' CG ' HH12 ' A' ' 45' ' ' ARG . 22.7 t70 -58.99 -44.87 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.582 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.7 mtt-85 -67.09 -20.38 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.719 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.603 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -61.67 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.373 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.87 -43.59 92.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 8.5 m-85 -117.77 122.62 43.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.445 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.295 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -88.04 103.92 16.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -81.95 -7.12 59.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.532 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -60.41 -33.75 72.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 t -55.02 -16.6 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.187 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.24 104.35 0.35 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.441 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.0 -34.82 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.346 2.031 . . . . 0.0 112.28 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.43 -47.69 84.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.399 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.45 -42.8 94.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.403 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.22 -44.3 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.658 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.23 -37.89 89.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.39 -41.46 93.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.643 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 80.4 ttt180 -78.52 -22.98 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.76 -50.44 72.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.606 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -73.65 -38.54 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 45.0 m-85 -100.73 118.49 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.459 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.573 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.41 103.73 16.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.93 -7.18 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.4 m -60.32 -33.96 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -54.76 -16.52 2.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.22 104.32 0.35 Allowed Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.357 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.25 -34.51 49.43 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.245 1.963 . . . . 0.0 112.237 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.49 -48.08 82.72 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.418 -178.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.99 -43.13 96.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.95 -44.42 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.618 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.56 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.18 -37.93 89.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.63 -41.07 94.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.444 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.4 ttt180 -78.75 -22.97 45.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.685 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.85 -50.28 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.569 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -73.82 -38.42 64.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' B' ' 45' ' ' ARG . 45.2 m-85 -100.9 118.22 36.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.526 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.468 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -89.07 103.42 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -81.49 -7.12 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -60.65 -33.69 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -54.97 -16.51 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.114 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.15 104.28 0.35 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.436 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 -34.64 49.61 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.377 2.051 . . . . 0.0 112.293 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' C' ' 26' ' ' LEU . 0.2 OUTLIER -61.34 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.402 -178.656 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 1.214 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 93.2 t -65.06 -43.09 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.89 -44.68 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.629 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ASN . . . . . 0.435 ' ND2' HD11 ' B' ' 26' ' ' LEU . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.561 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.12 -37.86 88.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.52 -41.5 94.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 80.5 ttt180 -78.36 -22.95 47.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.617 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.93 -50.15 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.494 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -74.01 -38.04 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.773 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 45.0 m-85 -101.31 118.42 36.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.418 179.861 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.74 103.34 15.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.53 -6.98 59.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.9 m -60.56 -33.85 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 35.0 t -54.78 -16.79 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.05 104.25 0.34 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.04 -35.02 49.27 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.229 1.952 . . . . 0.0 112.221 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.535 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -61.16 -48.11 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.327 -178.518 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.91 -43.3 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.369 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.9 -44.39 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.629 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.1 -37.93 89.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.29 93.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' D' ' 48' ' ' PHE . 80.4 ttt180 -78.75 -22.89 45.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.99 -49.9 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.6 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.27 -37.92 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' D' ' 45' ' ' ARG . 44.8 m-85 -101.49 118.18 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.214 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.941 0.4 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 35' ' ' ILE . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.517 ' H ' HD12 ' B' ' 35' ' ' ILE . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.897 0.379 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.514 ' H ' HD12 ' C' ' 35' ' ' ILE . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 35' ' ' ILE . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.643 0.259 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 42' ' ' ILE . 40.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.689 0.28 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.503 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.695 0.284 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.633 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.5 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.75 0.31 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.633 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.617 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' HG23 ' D' ' 42' ' ' ILE . 40.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.851 0.358 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' A' ' 36' ' ' LEU . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 32' ' ' ILE . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.449 ' O ' HD13 ' B' ' 36' ' ' LEU . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 32' ' ' ILE . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.2 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.455 ' O ' HD13 ' C' ' 36' ' ' LEU . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.455 HD13 ' O ' ' C' ' 32' ' ' ILE . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.479 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' D' ' 36' ' ' LEU . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' D' ' 32' ' ' ILE . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' D' ' 42' ' ' ILE . 34.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.586 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' ILE . 39.4 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.652 0.263 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.586 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.0 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.423 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.559 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' HG23 ' C' ' 42' ' ' ILE . 39.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' C' ' 30' ' ' ALA . 25.5 t-20 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' D' ' 42' ' ' ILE . 38.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.795 0.331 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.68 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.576 HD12 ' N ' ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.758 0.313 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.68 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.568 HD12 ' N ' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.806 0.336 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.574 ' N ' HD12 ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.551 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.93 0.395 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.8 0.333 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.561 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.759 0.314 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.308 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.636 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.565 HD13 ' O ' ' C' ' 42' ' ' ILE . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.726 0.298 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.636 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.573 ' O ' HD13 ' D' ' 42' ' ' ILE . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 29' ' ' ALA . 30.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 29' ' ' ALA . 30.4 m . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.442 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' C' ' 29' ' ' ALA . 30.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.616 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.445 HG23 ' N ' ' D' ' 29' ' ' ALA . 30.5 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.445 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.623 ' O ' HG22 ' D' ' 42' ' ' ILE . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.623 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.726 0.298 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.7 t60 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 40' ' ' LEU . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' N ' HG13 ' A' ' 39' ' ' ILE . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.484 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.677 0.275 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.474 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.409 HG13 ' N ' ' B' ' 40' ' ' LEU . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' HG13 ' B' ' 39' ' ' ILE . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.682 0.277 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.487 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.5 t60 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.406 HG13 ' N ' ' C' ' 40' ' ' LEU . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' HG13 ' C' ' 39' ' ' ILE . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.853 0.359 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.484 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.6 t60 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . 0.412 HG13 ' N ' ' D' ' 40' ' ' LEU . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.412 ' N ' HG13 ' D' ' 39' ' ' ILE . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.487 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.455 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 43' ' ' LEU . 2.4 tt . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.639 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.597 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 43' ' ' LEU . 2.4 tt . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.639 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.494 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.63 HD23 ' O ' ' C' ' 43' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.771 0.319 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.647 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.498 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.609 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 43' ' ' LEU . 2.4 tt . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.828 0.347 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.792 0.33 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.511 HG23 ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.511 ' N ' HG23 ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.613 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.51 HG23 ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.51 ' N ' HG23 ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.613 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' B' ' 38' ' ' LEU . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.702 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.849 0.357 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.482 HG23 HD11 ' C' ' 38' ' ' LEU . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.656 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.702 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.51 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.814 0.34 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.495 HG23 HD11 ' D' ' 38' ' ' LEU . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.656 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.512 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.61 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.596 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.512 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.615 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.808 0.337 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.9 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.736 0.303 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' B' ' 38' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.506 HG22 ' O ' ' C' ' 38' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' D' ' 38' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' D' ' 42' ' ' ILE . 36.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.766 0.317 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.875 0.369 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 30' ' ' ALA . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.884 0.373 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . 0.414 ' OD1' ' CB ' ' B' ' 30' ' ' ALA . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.768 0.318 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 29' ' ' ALA . 29.6 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.962 0.411 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' B' ' 29' ' ' ALA . 29.3 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.922 0.391 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.649 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' C' ' 29' ' ' ALA . 29.3 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.997 0.427 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.663 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.649 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.435 HG23 ' N ' ' D' ' 29' ' ' ALA . 29.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.919 0.39 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.435 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.663 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.777 0.323 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.748 0.309 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.487 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.785 0.326 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.492 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD21 ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 42' ' ' ILE . 45.8 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.574 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.577 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 45.3 tp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.574 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.428 ' N ' HG23 ' C' ' 42' ' ' ILE . 45.2 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.682 0.277 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.564 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.575 HD21 ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.432 ' N ' HG23 ' D' ' 42' ' ' ILE . 46.2 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.764 0.316 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.317 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.764 0.316 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.621 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.635 ' O ' HG22 ' C' ' 42' ' ' ILE . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.635 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.624 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.638 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.358 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 29' ' ' ALA . 19.2 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.414 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt . . . . . 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.4 HG23 ' N ' ' C' ' 29' ' ' ALA . 18.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.4 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.628 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.562 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.743 0.306 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.639 0.257 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.56 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.561 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' ' OG ' ' A' ' 22' ' ' SER . 63.8 t-20 -87.95 116.0 25.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.39 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -90.87 0.87 57.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.51 ' OG ' ' ND2' ' A' ' 20' ' ' ASN . 78.2 p -60.41 -42.86 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -152.94 122.79 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.534 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 149.71 80.58 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.692 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.31 -19.14 44.3 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.653 2.235 . . . . 0.0 112.173 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.63 -42.75 99.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.597 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.84 -46.6 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.3 -43.56 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.56 97.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.634 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.41 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.512 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.48 -44.38 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.05 -42.1 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.37 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.55 -42.42 93.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.07 -53.78 32.31 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 35' ' ' ILE . 3.6 mp -63.79 -41.65 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.743 -0.269 . . . . 0.0 110.828 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.8 tp -57.54 -45.28 85.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.565 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.2 t60 -61.36 -39.72 91.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.456 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.7 mt -60.31 -39.53 87.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.797 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.01 -44.85 99.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.28 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.38 -42.96 64.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.856 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.5 t90 -66.58 -38.81 87.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.892 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.35 -45.76 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.136 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.74 -40.04 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.497 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -58.05 -42.42 85.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.4 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.55 -43.82 95.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.426 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.36 -44.35 95.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.002 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.1 -46.65 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.725 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.87 147.49 52.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.416 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.552 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.588 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.526 ' ND2' ' OG ' ' B' ' 22' ' ' SER . 63.6 t-20 -88.48 115.58 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.443 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -90.69 1.4 56.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.437 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.526 ' OG ' ' ND2' ' B' ' 20' ' ' ASN . 78.5 p -61.03 -42.66 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.546 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.0 m -153.13 122.83 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.18 149.47 79.45 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.641 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.21 -18.67 45.03 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.696 2.264 . . . . 0.0 112.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.46 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 92.7 mt -63.21 -42.74 99.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.64 -46.65 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.61 -43.74 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.492 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.62 96.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.737 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -43.17 89.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -64.5 -44.27 91.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.568 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.91 -42.38 94.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.401 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.44 -41.9 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.505 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.52 -53.73 33.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.517 ' H ' HD12 ' B' ' 35' ' ' ILE . 3.6 mp -63.97 -41.75 93.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 121.166 -0.214 . . . . 0.0 110.739 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.28 -45.17 84.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.568 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.37 -40.07 92.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.529 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -60.02 -39.3 85.36 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.824 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.4 mt -61.25 -44.85 99.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.292 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -72.64 -42.85 63.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.886 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.456 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.6 t90 -66.62 -38.8 87.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mt -63.32 -46.08 96.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.3 -40.8 98.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.2 -43.01 82.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.402 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.09 -44.16 96.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.518 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.02 -44.91 94.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.35 -47.04 62.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.613 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -132.46 147.37 52.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.473 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.671 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.534 ' ND2' ' OG ' ' C' ' 22' ' ' SER . 63.6 t-20 -88.23 115.95 26.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.495 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 p30 -90.87 1.57 56.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.465 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.534 ' OG ' ' ND2' ' C' ' 20' ' ' ASN . 77.9 p -61.08 -42.62 98.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -153.26 122.83 6.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.11 149.56 79.76 Favored Pre-proline 0 N--CA 1.45 -0.467 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.96 -19.13 46.39 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.765 2.31 . . . . 0.0 112.12 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.418 ' O ' ' ND2' ' D' ' 31' ' ' ASN . 94.5 mt -62.63 -42.96 99.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.676 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.089 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 88.1 t -63.89 -46.39 94.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.572 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.68 -43.52 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.553 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.33 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.7 91.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 41.7 t-20 -64.08 -43.91 93.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.646 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.2 -42.68 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.416 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.1 -42.37 92.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.5 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.71 -54.4 28.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.514 ' H ' HD12 ' C' ' 35' ' ' ILE . 3.6 mp -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.735 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 49.6 tp -57.24 -45.25 84.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.703 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.582 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.6 mt -60.55 -39.56 88.41 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.05 -44.59 98.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.265 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.5 mt -72.76 -43.34 62.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.838 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.448 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.3 t90 -66.25 -38.66 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.851 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.7 mt -63.54 -45.96 96.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.36 -40.65 97.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.562 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.57 -42.28 82.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.83 -43.38 96.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.7 -44.25 94.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.2 -46.47 61.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.612 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -133.17 146.78 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.585 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.532 ' ND2' ' OG ' ' D' ' 22' ' ' SER . 63.4 t-20 -88.27 115.82 26.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 p30 -90.86 1.21 57.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.532 ' OG ' ' ND2' ' D' ' 20' ' ' ASN . 78.0 p -60.63 -42.88 97.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.669 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -153.03 122.94 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.539 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.97 149.59 80.22 Favored Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.673 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.28 -18.96 44.64 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.89 -42.8 99.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.629 HG13 'BR ' ' C' ' 100' ' ' 3LW . 80.7 t -63.75 -46.54 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.52 -43.82 94.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.54 96.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.32 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' C' ' 26' ' ' LEU . 41.6 t-20 -64.43 -44.29 91.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.624 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.83 -42.46 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.34 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 5.1 mm -61.41 -42.48 93.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.79 -53.6 32.29 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . 0.521 ' H ' HD12 ' D' ' 35' ' ' ILE . 3.6 mp -64.2 -42.05 94.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 121.109 -0.237 . . . . 0.0 110.832 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.89 -45.35 82.62 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.541 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.31 -39.88 92.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.336 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.582 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.6 mt -60.12 -39.67 87.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.829 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.02 -44.48 98.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.275 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.83 -43.08 63.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.453 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.6 t90 -66.51 -38.75 87.89 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.903 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 34.4 mt -63.42 -45.99 96.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.154 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -57.76 -42.17 83.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.454 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -63.62 -43.9 95.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.32 -44.46 94.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.93 -47.05 61.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.588 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -132.37 146.72 52.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.418 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.677 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.089 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.41 44.45 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.691 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -81.03 0.38 36.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.0 m -59.28 -41.91 90.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.712 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 m -71.37 93.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' O ' HG22 ' A' ' 27' ' ' VAL . 4.7 m-20 -47.66 149.88 2.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.437 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.07 -14.98 39.29 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 122.647 2.231 . . . . 0.0 112.206 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.76 -41.64 91.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m -64.74 -41.33 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' N ' HG23 ' A' ' 27' ' ' VAL . 96.2 t -62.55 -45.03 99.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.53 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.404 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.91 95.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.671 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.74 -43.5 96.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.79 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.73 -44.14 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -63.87 -43.53 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.759 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.8 -46.57 93.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.25 -42.94 97.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.353 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -61.32 -40.83 95.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.942 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.634 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.65 -41.87 87.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.034 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.2 mt -60.87 -39.39 89.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.33 -44.72 99.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.398 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -72.94 -42.97 62.88 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.228 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.6 t90 -67.94 -46.12 72.37 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.9 tt -64.31 -41.27 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.285 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 42' ' ' ILE . 40.2 mt -63.03 -40.55 98.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.613 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.66 -44.79 93.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 110.531 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 48' ' ' PHE . 25.1 mmt85 -68.92 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.3 tt -62.31 -45.07 94.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -62.02 -46.95 86.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.668 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 45' ' ' ARG . 13.1 m-85 -134.19 145.98 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.127 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 56.31 44.5 24.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.696 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -81.01 0.41 35.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.6 m -59.31 -41.9 90.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 70.7 m -71.41 94.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.422 . . . . 0.0 109.937 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.415 ' O ' HG22 ' B' ' 27' ' ' VAL . 4.7 m-20 -47.68 149.97 1.98 Allowed Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.08 -15.22 39.47 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.739 2.293 . . . . 0.0 112.081 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.724 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.687 HG12 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -64.73 -41.16 91.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' N ' HG23 ' B' ' 27' ' ' VAL . 95.5 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.668 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.07 -39.82 94.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.9 -43.67 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.642 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.2 94.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 92.5 mt -63.85 -43.67 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.645 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.79 -46.47 94.01 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.27 -43.01 97.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.621 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.6 tt -61.32 -40.81 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.977 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.92 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 0.0 110.107 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.634 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.1 mt -60.84 -39.5 89.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.16 -44.86 99.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.412 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -72.85 -43.0 63.15 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 74.4 t90 -68.0 -46.01 72.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.889 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.503 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -64.44 -41.2 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.281 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.8 mt -63.09 -40.61 98.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.567 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.67 -44.68 93.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.943 0.402 . . . . 0.0 110.626 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' B' ' 48' ' ' PHE . 25.1 mmt85 -69.12 -22.05 63.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.053 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' B' ' 48' ' ' PHE . 90.6 m-85 -62.0 -46.92 87.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.797 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' B' ' 45' ' ' ARG . 13.2 m-85 -134.2 145.91 49.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.249 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.4 44.55 24.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -80.94 0.32 35.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.62 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 62.3 m -59.49 -41.75 90.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 71.1 m -71.51 94.04 1.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.418 ' O ' HG22 ' C' ' 27' ' ' VAL . 4.7 m-20 -47.74 150.12 1.97 Allowed Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.402 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.21 -15.1 38.88 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.659 2.24 . . . . 0.0 112.195 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.66 -41.79 91.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.759 ' HB ' 'BR ' ' C' ' 100' ' ' 3LW . 3.1 m -64.54 -41.33 91.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.44 ' N ' HG23 ' C' ' 27' ' ' VAL . 95.9 t -62.61 -44.93 99.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.756 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.45 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.93 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.824 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.3 m-20 -63.95 -43.45 95.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.702 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.58 -44.09 93.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 93.1 mt -64.09 -43.46 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.6 93.8 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.28 -42.99 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.401 . . . . 0.0 110.352 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.633 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.6 tt -61.42 -40.63 95.12 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.961 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.76 -41.88 87.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.033 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.31 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.55 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.9 mt -72.72 -43.19 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.189 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.9 t90 -67.89 -46.16 72.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.855 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.5 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.8 tt -64.26 -41.32 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.308 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 40.4 mt -62.95 -40.64 98.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.648 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.69 -44.81 93.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.516 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' C' ' 48' ' ' PHE . 25.1 mmt85 -68.85 -22.26 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.556 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.638 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.3 tt -62.31 -44.95 95.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 110.062 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.11 -46.86 87.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.729 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' C' ' 45' ' ' ARG . 13.2 m-85 -134.24 145.96 49.64 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.348 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.57 44.49 23.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.653 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -80.96 0.32 36.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.596 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -59.4 -41.79 90.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 71.0 m -71.38 93.87 1.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.036 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.401 ' O ' HG22 ' D' ' 27' ' ' VAL . 4.6 m-20 -47.52 149.99 1.85 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.396 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.16 -15.07 39.05 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.75 2.3 . . . . 0.0 112.186 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -59.76 -41.63 91.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.775 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.2 m -64.74 -41.18 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.452 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.432 ' N ' HG23 ' D' ' 27' ' ' VAL . 95.7 t -62.76 -44.87 99.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.681 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.43 -41.51 97.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.544 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.92 95.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.93 -43.57 95.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.701 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -44.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.96 -43.47 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.665 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -46.47 94.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.38 -42.83 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.397 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.633 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.44 -40.69 95.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.953 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.617 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -58.67 -41.86 87.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.076 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.2 mt -60.91 -39.37 89.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.037 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.43 -44.6 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.444 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -72.85 -43.08 63.05 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 74.6 t90 -67.89 -46.17 72.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.963 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.8 tt -64.25 -41.2 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.364 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.424 ' N ' HG23 ' D' ' 42' ' ' ILE . 40.4 mt -63.12 -40.55 97.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.624 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.72 -44.79 93.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.35 . . . . 0.0 110.518 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' D' ' 48' ' ' PHE . 25.1 mmt85 -68.86 -22.14 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.605 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.3 tt -62.36 -45.01 95.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.911 0.386 . . . . 0.0 110.039 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.13 -46.84 87.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' D' ' 45' ' ' ARG . 13.2 m-85 -134.22 145.86 49.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.824 'BR ' ' ND2' ' C' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -84.73 119.79 25.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.496 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -62.96 -39.65 95.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.628 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.38 -44.54 95.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.5 m -117.39 98.97 6.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.25 84.62 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.422 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -66.73 -20.83 52.26 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.381 2.054 . . . . 0.0 112.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.5 -43.48 98.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.497 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.75 -46.65 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.9 -44.61 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.6 93.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.585 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.5 80.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.514 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' A' ' 36' ' ' LEU . 97.2 mt -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.702 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.4 mt -62.32 -43.27 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.364 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.99 -41.85 96.59 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.0 -44.37 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 120.775 0.322 . . . . 0.0 110.666 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 32' ' ' ILE . 9.0 mp -63.0 -40.29 97.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.387 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.81 -41.59 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.036 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.3 -38.88 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.88 -44.69 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.225 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.2 mp -73.33 -43.05 61.53 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.167 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 80.0 t90 -67.73 -45.44 75.01 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.0 tt -63.32 -39.07 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.66 -41.5 97.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.443 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.4 m-20 -61.21 -40.66 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.29 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.487 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 71.7 ttt180 -61.9 -41.21 97.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.522 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.6 tt -60.44 -47.42 86.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.325 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.24 -46.25 89.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.628 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ARG . 72.8 m-85 -111.54 113.27 25.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.429 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.487 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.88 119.93 25.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -62.85 -39.87 95.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.69 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.32 -44.56 95.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 45.4 m -117.25 98.97 6.72 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 109.976 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.52 150.34 84.53 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.419 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.88 -20.85 51.23 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 122.484 2.123 . . . . 0.0 111.99 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -62.43 -43.49 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.559 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -64.69 -46.9 90.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.505 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.8 -44.34 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.54 93.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.52 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.12 -47.52 80.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.37 -41.67 96.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.449 ' O ' HD13 ' B' ' 36' ' ' LEU . 97.2 mt -64.36 -44.07 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.687 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 82.9 mt -62.21 -43.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.85 96.68 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.05 -44.31 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.748 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 32' ' ' ILE . 9.0 mp -63.05 -40.41 97.62 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.318 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -58.48 -41.85 86.18 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.09 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.7 mt -61.15 -38.89 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.02 -44.74 99.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.059 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.2 mp -73.17 -43.13 61.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.147 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.419 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.9 t90 -67.67 -45.6 74.77 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.9 tt -63.26 -38.97 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.319 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.2 mt -61.73 -41.45 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.521 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.3 m-20 -61.31 -40.59 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.309 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.527 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 71.6 ttt180 -61.95 -41.11 97.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.61 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.6 tt -60.46 -47.42 86.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.349 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -62.38 -46.24 89.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.551 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' B' ' 45' ' ' ARG . 72.8 m-85 -111.53 113.29 25.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.433 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.517 179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.91 119.91 25.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.502 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -63.1 -39.68 95.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.664 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.2 -44.67 94.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.21 98.91 6.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.011 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.45 150.26 84.62 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.502 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.91 -20.7 51.15 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.456 2.104 . . . . 0.0 112.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.3 mp -62.53 -43.47 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.503 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.795 HG22 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -64.82 -46.64 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.475 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.95 -44.43 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.45 93.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.57 80.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.795 0.331 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -64.43 -41.68 96.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.814 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.455 ' O ' HD13 ' C' ' 36' ' ' LEU . 97.1 mt -64.35 -44.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.709 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.3 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.82 96.65 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -44.19 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.455 HD13 ' O ' ' C' ' 32' ' ' ILE . 8.9 mp -63.13 -40.18 96.86 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -58.71 -41.76 87.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.6 mt -61.17 -39.03 88.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.032 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.92 -44.74 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.131 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.479 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.2 mp -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.166 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 80.1 t90 -67.67 -45.6 74.76 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.28 -38.85 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.331 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.425 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.3 m-20 -61.32 -40.59 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.521 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 71.6 ttt180 -61.96 -41.2 97.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.6 tt -60.37 -47.45 86.02 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.283 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -62.3 -46.23 89.67 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.631 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' O ' ' O ' ' C' ' 45' ' ' ARG . 72.4 m-85 -111.55 113.41 25.81 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.498 179.837 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.82 119.99 25.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -63.14 -39.54 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.697 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -60.34 -44.56 95.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.8 m -117.37 98.89 6.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.024 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.33 150.19 84.87 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.47 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.78 -20.82 51.94 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.448 2.098 . . . . 0.0 112.067 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -62.41 -43.61 98.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.499 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.821 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 77.8 t -64.6 -46.73 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.538 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -64.89 -44.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.546 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.58 93.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.653 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.52 80.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.34 -41.79 96.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.784 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.457 ' O ' HD13 ' D' ' 36' ' ' LEU . 97.1 mt -64.28 -44.03 97.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.1 mt -62.18 -43.24 97.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.318 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.05 96.61 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.05 -44.23 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.701 0.286 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' D' ' 32' ' ' ILE . 9.1 mp -63.02 -40.43 97.73 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.3 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.618 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.49 -41.84 86.24 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.042 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.7 mt -61.26 -38.9 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.86 -44.69 99.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.195 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.475 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.2 mp -73.39 -42.93 61.55 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.124 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 80.0 t90 -67.76 -45.49 74.75 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.28 -39.05 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.797 0.332 . . . . 0.0 110.276 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.4 ' N ' HG23 ' D' ' 42' ' ' ILE . 34.5 mt -61.83 -41.39 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.487 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.2 m-20 -61.28 -40.52 94.44 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.366 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 71.6 ttt180 -62.09 -41.03 97.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.616 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.6 tt -60.49 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.217 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -62.29 -46.19 89.89 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.0 m-85 -111.56 113.35 25.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.484 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.539 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.821 'BR ' ' CG1' ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -79.04 164.51 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.84 -40.87 96.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.4 t -61.69 -42.01 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.46 130.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.994 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.06 105.88 0.47 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.367 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -50.9 -34.47 45.77 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.011 1.807 . . . . 0.0 112.526 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -61.77 -41.6 97.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.702 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -62.43 -45.26 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.449 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.05 -45.33 99.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.01 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.752 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -45.47 84.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.635 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.52 -42.59 98.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.891 0.376 . . . . 0.0 110.526 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.1 -43.08 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.657 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.46 -43.97 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.34 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.04 -45.87 94.65 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.17 -42.77 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.375 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.69 -41.63 95.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.253 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.586 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -58.7 -41.05 85.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.1 mt -60.97 -39.04 88.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.86 -44.03 98.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.427 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.4 mt -73.75 -43.66 58.4 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.205 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 77.7 t90 -68.3 -44.08 76.24 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.0 tp -64.22 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.391 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' N ' HG23 ' A' ' 42' ' ' ILE . 39.4 mt -62.33 -41.83 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' CG ' ' HE ' ' B' ' 45' ' ' ARG . 65.2 t0 -63.27 -42.08 99.1 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.615 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.543 ' HE ' ' CG ' ' D' ' 44' ' ' ASP . 77.5 ttt-85 -76.37 -20.81 56.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.56 -45.09 94.52 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.789 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.91 -44.17 90.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' A' ' 45' ' ' ARG . 6.1 m-85 -118.48 124.99 48.95 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.39 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.604 179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.9 164.52 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.79 -40.82 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.443 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -61.97 -41.74 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.27 130.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.985 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -44.18 105.94 0.48 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.368 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.81 -34.64 45.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 C-N-CA 122.049 1.833 . . . . 0.0 112.48 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.73 -41.64 97.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.42 -45.25 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.04 -45.31 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.49 83.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -63.58 -42.63 98.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.23 -43.04 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.47 -43.98 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.21 -45.47 95.21 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.34 -42.65 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 110.484 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.81 -41.6 95.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.351 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.71 -40.98 85.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.072 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.586 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.9 mt -60.93 -39.18 88.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.84 -44.12 98.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.253 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.66 -43.6 59.01 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.7 t90 -68.37 -44.11 75.9 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.869 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.0 tp -64.21 -40.33 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.308 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.427 ' N ' HG23 ' B' ' 42' ' ' ILE . 39.0 mt -62.33 -41.77 98.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.543 ' CG ' ' HE ' ' C' ' 45' ' ' ARG . 65.7 t0 -63.28 -42.14 99.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.788 0.328 . . . . 0.0 110.627 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.52 ' HE ' ' CG ' ' A' ' 44' ' ' ASP . 77.5 ttt-85 -76.35 -20.92 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.5 -45.19 94.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.736 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -64.76 -44.32 90.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 45' ' ' ARG . 6.1 m-85 -118.34 125.28 49.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.422 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.631 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -78.74 164.6 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.92 -40.72 96.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.11 -41.76 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.315 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.8 p 64.4 130.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -44.21 106.09 0.49 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.366 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.94 -34.55 46.47 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.041 1.827 . . . . 0.0 112.434 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.82 -41.53 97.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.318 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 76.8 t -62.42 -45.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.428 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.0 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.94 -37.97 89.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.687 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.423 ' HB2' HD22 ' D' ' 31' ' ' ASN . . . -57.2 -45.37 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.786 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -63.45 -42.72 98.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.08 -43.21 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.524 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.36 -44.13 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.317 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.63 95.09 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.25 -42.88 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.61 -41.48 94.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.338 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.605 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -58.61 -41.31 85.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.123 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.559 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.3 mt -60.92 -39.04 87.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.96 -44.04 98.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.386 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.67 -43.84 58.29 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.214 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.442 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.0 t90 -68.21 -44.12 76.51 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.0 tp -64.08 -40.37 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.382 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' HG23 ' C' ' 42' ' ' ILE . 39.1 mt -62.27 -42.0 98.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.365 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.509 ' CG ' ' HE ' ' D' ' 45' ' ' ARG . 64.9 t0 -63.13 -41.94 99.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.576 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.543 ' HE ' ' CG ' ' B' ' 44' ' ' ASP . 77.3 ttt-85 -76.52 -20.89 56.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.796 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.52 -45.03 94.83 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -64.87 -44.25 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.739 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' C' ' 45' ' ' ARG . 6.1 m-85 -118.41 124.98 49.0 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.438 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.629 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.92 164.6 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -61.8 -40.86 96.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.2 t -61.71 -41.82 98.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.455 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 64.23 130.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.96 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -44.28 106.15 0.5 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.357 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -50.98 -34.47 46.38 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.008 1.805 . . . . 0.0 112.509 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.94 -41.5 98.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG13 'BR ' ' C' ' 100' ' ' 3LW . 75.3 t -62.36 -45.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.462 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.99 -45.43 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.647 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.15 -45.48 83.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.762 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' C' ' 30' ' ' ALA . 25.5 t-20 -63.49 -42.76 98.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.455 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.06 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.48 -44.05 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.1 -45.56 95.19 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.2 -42.94 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.402 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.56 -41.75 95.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.559 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.67 -40.92 84.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.16 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.605 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -60.75 -39.29 88.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.002 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.88 -44.01 98.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.304 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -73.75 -43.71 58.29 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.285 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.3 t90 -68.31 -44.17 76.0 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.884 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.0 tp -64.18 -40.28 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.436 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.425 ' N ' HG23 ' D' ' 42' ' ' ILE . 38.9 mt -62.27 -41.93 98.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.543 ' CG ' ' HE ' ' A' ' 45' ' ' ARG . 64.9 t0 -63.12 -42.11 99.47 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.6 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.509 ' HE ' ' CG ' ' C' ' 44' ' ' ASP . 77.6 ttt-85 -76.39 -20.99 56.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.754 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.43 -45.07 94.77 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -64.91 -44.29 90.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' D' ' 45' ' ' ARG . 6.1 m-85 -118.36 125.03 49.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.588 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.318 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.41 -40.22 96.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.7 -40.28 96.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.386 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.32 -42.23 98.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.654 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -137.74 115.99 11.82 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 153.66 81.33 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.325 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.2 -17.71 54.91 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.628 2.219 . . . . 0.0 111.915 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.09 -42.51 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.317 HG22 'BR ' ' C' ' 100' ' ' 3LW . 89.3 t -64.36 -45.06 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.83 -44.59 98.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.559 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.9 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.32 98.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.436 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -64.8 -45.13 87.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.55 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 88.0 mt -64.71 -43.62 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.48 99.53 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.71 -43.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.19 -37.37 82.73 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.964 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -57.25 -42.48 81.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.682 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.3 mt -62.08 -38.3 88.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.4 -50.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.497 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 40' ' ' LEU . 9.9 mp -69.44 -43.35 73.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.586 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 88.7 t90 -64.2 -39.22 93.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.0 mt -61.88 -45.01 99.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -39.11 93.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.203 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -52.75 -42.37 64.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.2 mtp85 -60.75 -33.62 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.85 -47.51 86.01 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.63 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.63 -43.02 77.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' ARG . 73.2 m-85 -123.05 134.42 54.27 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.522 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.653 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.35 -40.39 97.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.438 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.59 -40.17 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.44 -42.31 98.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -137.76 116.06 11.87 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.108 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.55 153.72 81.34 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.376 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.4 -17.62 53.95 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.522 2.148 . . . . 0.0 111.867 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.86 -42.76 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.573 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.919 ' CG1' 'BR ' ' C' ' 100' ' ' 3LW . 84.9 t -64.35 -45.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.273 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.1 t -63.73 -44.61 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.87 97.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.05 98.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.37 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.99 -45.08 87.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.767 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.86 -44.56 96.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.65 -43.69 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.53 99.53 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.67 -43.89 98.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.02 -37.37 82.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.027 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.68 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.4 -42.42 82.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.5 mt -62.2 -38.24 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.006 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mm -57.45 -50.74 76.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.465 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.0 mp -69.61 -43.45 72.71 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.546 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -63.99 -39.26 93.72 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.922 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.94 -44.91 99.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.92 -39.06 93.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.228 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -53.01 -42.14 65.35 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 48' ' ' PHE . 78.3 mtp85 -60.57 -33.76 73.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.9 -47.39 86.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.562 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.68 -43.01 77.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 45' ' ' ARG . 73.4 m-85 -123.07 134.42 54.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.507 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.37 -40.38 97.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.48 -40.27 96.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.0 t -61.44 -42.29 98.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -137.63 116.15 12.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.191 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.2 OUTLIER -77.68 153.76 80.99 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.283 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.28 -17.64 54.47 Favored 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.52 2.147 . . . . 0.0 111.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.04 -42.44 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.657 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.56 -45.04 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.78 -44.53 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.598 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.82 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.02 97.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.445 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -64.97 -45.11 87.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.774 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.82 -44.5 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.528 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.6 -43.8 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.788 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.15 -42.28 99.49 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.93 -43.71 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -37.44 82.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.988 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -57.27 -42.38 81.49 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.68 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.9 mt -62.14 -38.44 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.026 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.23 -50.95 75.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.43 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.568 HD12 ' N ' ' C' ' 40' ' ' LEU . 9.9 mp -69.44 -43.44 73.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.703 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 88.7 t90 -63.98 -39.36 93.95 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.86 -44.89 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.83 -39.11 93.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.213 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -52.9 -42.39 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' C' ' 48' ' ' PHE . 78.3 mtp85 -60.44 -33.61 72.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.1 -47.39 86.5 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.482 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -68.69 -42.92 77.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' C' ' 45' ' ' ARG . 73.6 m-85 -123.13 134.46 54.21 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.47 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.526 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.51 -40.23 96.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.457 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.64 -40.25 96.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 t -61.35 -42.39 98.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -137.61 115.98 11.9 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.218 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.2 OUTLIER -77.5 153.73 81.45 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.336 -179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.3 -17.64 54.41 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.45 2.1 . . . . 0.0 111.962 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -62.06 -42.41 99.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.593 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.43 -45.17 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.883 0.373 . . . . 0.0 110.403 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.67 -44.73 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.86 97.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.683 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.2 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.433 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -64.78 -45.24 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.62 -44.69 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.63 -43.77 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.777 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.95 -42.48 99.66 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.77 -43.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.2 -37.48 83.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.951 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.12 -42.42 80.84 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.726 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.1 mt -62.21 -38.32 88.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 40.4 mm -57.36 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.503 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.574 ' N ' HD12 ' D' ' 40' ' ' LEU . 9.9 mp -69.37 -43.58 73.26 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.951 -0.299 . . . . 0.0 111.582 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -63.91 -39.3 93.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.87 -45.06 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.81 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.199 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -52.92 -42.18 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' D' ' 48' ' ' PHE . 78.2 mtp85 -60.71 -33.58 73.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.07 -47.27 87.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.75 -43.05 76.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 73.5 m-85 -123.12 134.43 54.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.587 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.516 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.317 'BR ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.33 106.67 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 66.2 t0 -63.69 -36.13 82.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.26 -43.86 92.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.9 m -143.55 119.28 10.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.07 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.96 150.94 69.84 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.41 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.21 -21.04 55.69 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.452 2.101 . . . . 0.0 112.055 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -62.69 -41.65 99.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.464 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.87 -44.77 99.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.33 -44.69 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.472 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.66 85.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.41 92.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.03 -43.27 96.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.673 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -43.67 94.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.33 -43.48 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.559 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.82 -44.87 97.51 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.09 -43.09 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.23 -40.12 92.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.37 -41.58 85.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.0 mt -61.27 -40.01 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.073 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.39 -50.55 78.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.493 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -68.33 -44.0 76.29 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.506 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -65.46 -37.39 86.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.952 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.19 -44.98 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.56 -42.21 96.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.72 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -62.94 -31.36 72.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.853 0.359 . . . . 0.0 110.534 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.02 -39.03 77.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.773 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.65 97.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.299 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m-85 -82.0 -8.83 59.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 47' ' ' PHE . 85.3 m-85 -153.75 97.84 2.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' OXT' ' OD1' ' D' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.429 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.26 106.78 17.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 66.0 t0 -63.82 -36.23 83.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.2 -43.93 92.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -143.55 119.25 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.077 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.82 151.0 70.37 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.25 -21.11 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.455 2.103 . . . . 0.0 112.066 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -62.72 -41.57 99.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.442 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 1.178 HG22 'BR ' ' C' ' 100' ' ' 3LW . 82.5 t -62.78 -44.9 99.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.536 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.19 -44.82 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.7 85.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.36 92.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.65 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.17 -43.17 95.97 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.64 -43.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.23 -43.56 98.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.608 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.84 -44.57 97.89 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -43.06 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.2 -40.31 93.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -58.21 -41.57 84.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.937 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.8 mt -61.31 -40.18 93.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.958 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.28 -50.67 77.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.539 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.551 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -68.13 -43.99 77.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.596 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.449 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 82.0 t90 -65.73 -37.19 85.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.93 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 26.3 mt -61.08 -45.24 98.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.52 -41.9 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.772 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.431 ' OD1' ' OXT' ' C' ' 49' ' ' LYS . 51.7 t0 -63.33 -31.11 72.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.457 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -58.2 -38.95 77.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.504 ' N ' HD22 ' B' ' 46' ' ' LEU . 3.9 mm? -61.05 -41.7 97.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.38 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 25.2 m-85 -82.06 -8.62 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.44 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' B' ' 47' ' ' PHE . 85.3 m-85 -153.86 97.85 2.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.473 179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.27 106.82 17.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 66.1 t0 -63.87 -35.99 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.23 -43.92 92.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -143.58 119.19 10.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.082 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.92 150.9 69.87 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.311 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.27 -20.83 55.43 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.33 2.02 . . . . 0.0 112.192 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.89 -41.49 99.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.2 t -62.79 -44.96 99.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.517 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.08 -44.85 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.581 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.66 -37.75 85.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.477 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.33 92.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 1.16 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 97.5 m-20 -64.09 -43.17 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.76 -43.53 93.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.43 -43.4 98.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.562 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.71 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.14 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.92 0.391 . . . . 0.0 110.317 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.18 -40.27 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.612 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -58.21 -41.73 84.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.594 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.9 mt -61.23 -40.11 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.24 -50.68 77.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 119.638 -0.825 . . . . 0.0 110.413 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.89 76.86 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.572 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.1 t90 -65.54 -37.38 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.609 0.242 . . . . 0.0 110.948 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mt -61.08 -45.05 99.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.55 -42.2 96.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.687 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' OD1' ' OXT' ' D' ' 49' ' ' LYS . 50.6 t0 -63.13 -31.18 72.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.463 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -58.06 -39.07 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.495 HD22 ' N ' ' C' ' 46' ' ' LEU . 3.9 mm? -61.09 -41.66 97.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.408 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.416 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 24.9 m-85 -81.9 -8.81 59.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.5 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -153.8 97.77 2.13 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.431 ' OXT' ' OD1' ' B' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.415 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.22 106.7 17.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 66.1 t0 -63.75 -36.15 82.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.467 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -59.15 -43.88 92.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.769 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -143.61 119.33 10.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.979 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 150.97 69.81 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.288 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.25 -21.03 55.42 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.491 2.127 . . . . 0.0 112.059 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -62.76 -41.58 99.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.465 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.74 -45.05 99.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 0.0 110.43 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.1 -44.74 99.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.526 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.76 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.551 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.05 -43.34 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.721 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.37 -43.8 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.27 -43.55 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.513 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.86 -44.86 97.55 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -43.02 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.37 -40.12 93.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.344 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.39 -41.43 84.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.933 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.612 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.8 mt -61.31 -40.25 93.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.16 -50.69 77.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.459 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.561 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -68.25 -43.81 77.02 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.597 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.454 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.0 t90 -65.76 -37.19 85.66 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.048 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.05 -45.19 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -60.6 -41.88 95.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.68 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' OXT' ' A' ' 49' ' ' LYS . 51.1 t0 -63.4 -31.0 72.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.601 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -58.26 -38.94 77.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.676 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.506 ' N ' HD22 ' D' ' 46' ' ' LEU . 3.9 mm? -61.18 -41.55 97.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.389 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' D' ' 48' ' ' PHE . 24.8 m-85 -82.07 -8.78 59.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.458 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' D' ' 47' ' ' PHE . 85.4 m-85 -153.73 97.87 2.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . 0.4 ' OXT' ' OD1' ' C' ' 44' ' ' ASP . 17.2 ptpt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.51 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.178 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -73.23 -12.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.56 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.48 -42.6 99.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -60.74 -42.3 97.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.36 83.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.325 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.11 152.27 7.94 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.208 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.75 -21.03 58.9 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.362 2.042 . . . . 0.0 111.984 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 mp -62.61 -41.7 99.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.309 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.34 -44.66 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.04 -45.18 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.33 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.26 93.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.803 0.335 . . . . 0.0 110.726 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.69 -42.94 94.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.19 -44.13 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.16 -43.55 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.73 97.6 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.53 -42.91 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.086 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.56 -40.04 93.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.306 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.19 -42.19 90.28 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.5 mt -61.67 -39.42 91.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.221 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.02 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.454 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -70.85 -43.63 68.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.789 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 73.7 t90 -66.23 -48.95 68.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.53 0.205 . . . . 0.0 111.503 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.26 -41.56 89.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.88 -40.84 98.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.3 86.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.515 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 48' ' ' PHE . 83.1 mtp180 -60.95 -29.73 69.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.645 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -60.14 -46.37 89.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.14 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -62.79 -45.46 92.55 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.72 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.3 m-85 -131.53 136.54 47.95 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.693 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.33 -12.46 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.49 -42.56 99.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.71 -42.37 97.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.37 83.53 0.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.252 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.12 152.31 7.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.88 -20.91 58.07 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.292 1.995 . . . . 0.0 111.936 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.0 mp -62.71 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.14 -44.68 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.11 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.372 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.14 93.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.616 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.77 95.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.645 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.64 -42.96 95.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.13 -44.17 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.22 -43.48 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.788 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.73 97.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.6 -42.78 96.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.104 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.49 -40.0 92.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.18 -42.27 90.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.07 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.9 mt -61.83 -39.26 91.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.97 -48.65 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.369 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -70.87 -43.57 68.17 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.753 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -66.3 -48.83 69.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.554 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' B' ' 42' ' ' ILE . 0.2 OUTLIER -66.31 -41.54 89.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.94 -40.77 98.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -58.03 -44.14 87.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.489 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.0 mtp180 -61.01 -29.83 69.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -60.04 -46.4 89.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -62.76 -45.43 92.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.693 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.0 m-85 -131.62 136.5 47.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.473 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.603 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -73.26 -12.56 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.39 -42.59 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -60.76 -42.22 97.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.56 83.55 0.28 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.256 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.09 152.29 7.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.206 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.82 -20.98 58.46 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.205 1.937 . . . . 0.0 112.013 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.1 mp -62.51 -41.78 99.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.373 HG22 'BR ' ' C' ' 100' ' ' 3LW . 77.2 t -63.22 -44.6 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.475 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.23 -44.91 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.381 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.19 93.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.84 95.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.613 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -64.56 -42.99 95.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.16 -44.04 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.28 -43.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.86 97.47 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.57 -42.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.928 0.394 . . . . 0.0 110.193 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.67 -39.99 93.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.301 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.636 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.97 -42.42 89.89 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.115 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.7 mt -61.68 -39.44 91.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.89 -48.74 86.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.452 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -70.78 -43.63 68.34 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.5 t90 -66.41 -48.67 69.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.551 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.565 ' O ' HD13 ' C' ' 42' ' ' ILE . 0.2 OUTLIER -66.38 -41.44 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.94 -40.75 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -57.9 -44.38 86.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.829 0.347 . . . . 0.0 110.536 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' C' ' 48' ' ' PHE . 83.0 mtp180 -60.87 -29.74 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.586 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.621 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -60.2 -46.28 90.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.163 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.86 -45.49 92.33 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.599 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.0 m-85 -131.45 136.67 48.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.436 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.605 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -73.38 -12.47 60.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.45 -42.59 99.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -60.77 -42.21 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -68.54 83.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.25 152.33 8.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.118 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.87 -20.89 58.09 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.335 2.024 . . . . 0.0 112.066 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.68 -41.72 99.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.878 HG13 'BR ' ' C' ' 100' ' ' 3LW . 78.2 t -63.08 -44.75 99.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.16 -44.99 99.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.383 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.11 93.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.518 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.65 95.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.597 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.77 -42.98 94.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.799 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.0 -44.14 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.596 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.27 -43.6 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.695 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.68 97.67 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.65 -42.65 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.257 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.53 -40.18 93.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.3 t60 -58.97 -42.51 90.1 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.636 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.9 mt -61.6 -39.39 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.88 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 C-N-CA 119.959 -0.696 . . . . 0.0 110.381 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.5 mt -70.76 -43.78 68.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.6 t90 -66.28 -48.77 69.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.458 -179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.573 HD13 ' O ' ' D' ' 42' ' ' ILE . 0.2 OUTLIER -66.19 -41.59 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.209 0.528 . . . . 0.0 109.784 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.9 -40.96 99.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.631 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -57.9 -44.25 86.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.9 mtp180 -60.97 -29.74 69.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.658 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.613 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -60.0 -46.44 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.249 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -62.75 -45.5 92.39 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.678 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.0 m-85 -131.57 136.56 47.91 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.454 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.659 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.373 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.23 -40.61 97.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.23 -42.46 99.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.531 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.08 -43.69 98.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.616 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -91.01 95.25 10.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.176 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.91 150.89 96.02 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.346 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.02 -24.86 52.14 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.399 2.066 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.35 -40.81 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.26 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.183 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 69.0 t -61.28 -49.37 84.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.021 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 29' ' ' ALA . 30.6 m -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.041 0.448 . . . . 0.0 110.537 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -61.24 -40.26 93.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.483 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.78 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.739 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' D' ' 26' ' ' LEU . 43.7 t-20 -64.68 -42.1 95.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.37 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -42.93 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.65 -43.46 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.421 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.75 99.0 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.67 -43.23 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.92 0.39 . . . . 0.0 110.245 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.61 -40.64 95.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.276 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.01 -41.46 87.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.936 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' ILE . 7.3 mt -61.37 -38.23 86.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.14 -44.47 99.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.393 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.52 -45.58 52.89 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.364 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 78.2 t90 -66.4 -45.83 78.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.667 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.2 tt -64.7 -32.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.972 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.49 -46.24 90.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.262 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.3 t0 -64.42 -36.62 84.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.432 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.5 ttt85 -60.99 -38.71 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.613 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.9 tt -59.53 -46.53 88.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.29 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.69 -45.21 93.84 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.497 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 45' ' ' ARG . 10.6 m-85 -131.13 134.6 46.71 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.637 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.13 -40.61 98.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.69 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.31 -42.47 99.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.491 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.7 t -62.14 -43.67 98.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -90.8 95.21 10.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.184 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.95 150.96 96.0 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.18 -24.83 50.98 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.33 2.02 . . . . 0.0 111.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.458 ' O ' ' ND2' ' C' ' 31' ' ' ASN . 87.9 mt -66.26 -40.72 90.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.442 HG13 'BR ' ' C' ' 100' ' ' 3LW . 71.6 t -61.34 -49.39 84.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.797 0.332 . . . . 0.0 111.009 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 29' ' ' ALA . 30.4 m -68.83 -41.31 82.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.449 . . . . 0.0 110.47 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.442 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -61.36 -40.02 92.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.517 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.6 99.24 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -64.77 -42.13 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.328 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.81 95.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.431 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.75 -43.48 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.407 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.69 99.08 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.78 -43.04 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.327 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.7 -40.44 95.03 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.08 -41.43 88.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.932 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.2 mt -61.45 -38.06 85.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.456 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.64 -45.5 52.45 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.347 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 78.1 t90 -66.27 -45.98 78.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.523 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.78 -32.3 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.011 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.5 -46.19 91.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.37 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 66.7 t0 -64.28 -36.73 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.6 ttt85 -61.04 -38.69 87.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.578 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.9 tt -59.7 -46.57 88.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.18 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.64 -45.2 93.91 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.57 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' B' ' 45' ' ' ARG . 10.5 m-85 -131.12 134.51 46.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.732 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.24 -40.62 97.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.27 -42.48 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.26 -43.59 98.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.94 95.34 10.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.128 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.96 150.99 95.99 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.21 -24.73 50.87 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.403 2.069 . . . . 0.0 111.784 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.52 -40.63 89.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.357 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.37 -49.32 84.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.025 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.437 HG23 ' N ' ' C' ' 29' ' ' ALA . 30.8 m -68.87 -41.36 82.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.996 0.427 . . . . 0.0 110.418 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.437 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -61.15 -40.23 93.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.574 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.8 99.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 26' ' ' LEU . 43.9 t-20 -64.64 -42.09 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.84 -42.99 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.487 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.48 -43.51 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -43.97 98.62 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.64 -43.08 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.49 -40.76 95.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.616 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.05 -41.46 87.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.616 ' O ' HG22 ' C' ' 42' ' ' ILE . 7.2 mt -61.37 -38.15 85.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.171 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.16 -44.57 99.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.377 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.42 -45.66 53.21 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.433 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 78.4 t90 -66.33 -45.78 79.09 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.67 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -64.7 -32.46 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.02 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -60.42 -46.21 90.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.406 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.4 t0 -64.4 -36.58 84.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.341 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.7 ttt85 -61.07 -38.72 87.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.527 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.62 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.9 tt -59.58 -46.58 88.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.22 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -62.71 -45.18 93.94 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.485 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 10.4 m-85 -131.21 134.56 46.59 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.327 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 pttt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.713 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -63.28 -40.54 97.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -62.07 -43.78 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -90.88 95.21 10.01 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.255 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.83 151.03 95.72 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.39 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.2 -24.9 50.75 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.342 2.028 . . . . 0.0 111.878 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 87.9 mt -66.25 -40.83 90.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.271 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.34 -49.33 84.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.445 HG23 ' N ' ' D' ' 29' ' ' ALA . 30.5 m -68.78 -41.37 82.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.932 0.396 . . . . 0.0 110.49 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.445 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -61.3 -40.02 92.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.816 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -64.68 -42.02 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.88 -42.82 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.46 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.73 -43.56 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.41 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.92 -43.67 99.06 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.9 -43.05 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.702 0.287 . . . . 0.0 110.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.55 -40.78 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -58.93 -41.53 87.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.929 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.623 ' O ' HG22 ' D' ' 42' ' ' ILE . 7.3 mt -61.45 -37.99 85.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.113 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.2 -44.66 99.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.354 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.1 mt -73.4 -45.67 53.36 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.384 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 78.1 t90 -66.21 -46.03 78.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.534 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.623 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -64.68 -32.36 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.036 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.44 -46.25 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.296 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.4 t0 -64.31 -36.81 85.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.255 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.6 ttt85 -60.87 -38.84 86.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.601 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.63 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.9 tt -59.62 -46.48 88.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.232 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -62.63 -45.29 93.51 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.51 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 10.4 m-85 -131.15 134.47 46.56 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.663 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.183 'BR ' ' HA ' ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.82 130.16 34.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.453 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.04 -41.68 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -60.82 -41.84 96.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.7 p -66.68 84.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.059 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 152.21 25.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.52 -20.15 54.19 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.579 2.186 . . . . 0.0 112.065 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.423 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.835 HG12 'BR ' ' C' ' 100' ' ' 3LW . 88.6 t -63.07 -44.6 99.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.98 -44.1 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.66 87.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.12 89.29 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.368 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 1.127 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 93.7 m-20 -63.68 -46.64 84.63 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.75 -43.65 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.51 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 93.2 mt -62.65 -42.58 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.01 67.84 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.95 -42.02 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.418 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.95 -37.72 77.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.137 0.494 . . . . 0.0 110.22 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.7 t60 -66.97 -43.06 84.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' D' ' 33' ' ' ILE . 1.3 mt -60.62 -45.47 93.9 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.768 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 40' ' ' LEU . 22.7 pt -62.63 -41.32 91.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.266 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' N ' HG13 ' A' ' 39' ' ' ILE . 13.7 mt -71.04 -44.1 66.51 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.221 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.484 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 61.6 t90 -69.69 -46.81 65.18 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -62.82 -41.08 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.859 0.361 . . . . 0.0 110.135 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 37.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.367 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.28 -42.21 94.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.228 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.9 mtt-85 -75.43 -20.8 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.14 94.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.803 0.335 . . . . 0.0 110.771 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.92 -44.62 95.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.95 154.04 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.541 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.87 130.06 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.84 -41.74 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 61.8 m -60.7 -41.8 95.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.407 ' O ' ' OG ' ' B' ' 23' ' ' SER . 58.1 p -66.7 84.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.108 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.53 152.08 26.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -66.37 -20.08 55.16 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.62 2.213 . . . . 0.0 112.104 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.41 -43.33 99.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.446 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.08 -44.49 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.509 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.17 -44.08 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.76 86.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.08 90.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.385 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.64 -46.62 84.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.734 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.64 -43.68 98.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.542 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 93.5 mt -62.61 -42.63 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.432 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.51 -44.96 67.62 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mm -65.96 -42.11 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.377 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.93 -37.73 77.38 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.288 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.474 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.8 t60 -66.97 -43.0 84.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.492 ' CD1' ' CG2' ' A' ' 33' ' ' ILE . 1.3 mt -60.73 -45.3 94.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.827 -178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.409 HG13 ' N ' ' B' ' 40' ' ' LEU . 22.8 pt -62.7 -41.4 92.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.382 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.409 ' N ' HG13 ' B' ' 39' ' ' ILE . 13.5 mt -71.02 -43.82 67.12 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.262 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.478 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 61.9 t90 -69.99 -46.66 64.7 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.452 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.6 tp -62.91 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.863 0.363 . . . . 0.0 110.172 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.7 mt -63.13 -37.77 88.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.332 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.2 -42.36 94.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.44 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.9 mtt-85 -75.51 -20.68 58.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.293 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.37 -45.14 94.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 110.796 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -62.81 -44.56 95.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.621 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -149.02 154.34 39.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.591 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -80.73 130.08 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.434 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.89 -41.67 99.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.99 -41.69 96.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' C' ' 23' ' ' SER . 59.8 p -66.75 84.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.63 152.19 26.95 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.349 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.47 -20.17 54.46 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.507 2.138 . . . . 0.0 112.047 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.24 -43.26 99.24 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.859 0.361 . . . . 0.0 110.527 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.04 -44.62 99.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.438 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.08 -44.13 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.72 86.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.549 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.91 89.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.548 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.75 -46.55 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.68 -43.59 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.389 . . . . 0.0 110.643 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.502 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.4 mt -62.68 -42.74 97.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.391 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.98 66.08 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.01 -42.03 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.372 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.76 -37.98 77.46 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.487 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.5 t60 -66.83 -43.17 84.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.008 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.48 ' CD1' ' CG2' ' B' ' 33' ' ' ILE . 1.3 mt -60.44 -45.57 93.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.406 HG13 ' N ' ' C' ' 40' ' ' LEU . 22.8 pt -62.6 -41.29 91.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.415 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.406 ' N ' HG13 ' C' ' 39' ' ' ILE . 13.7 mt -71.1 -44.21 66.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 61.2 t90 -69.69 -46.67 65.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.712 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.451 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.5 tp -63.12 -40.75 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.826 0.346 . . . . 0.0 110.255 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.5 mt -63.15 -37.78 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -60.22 -42.37 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.443 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 95.0 mtt-85 -75.39 -20.89 58.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.258 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.34 -45.18 94.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.721 0.296 . . . . 0.0 110.759 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -62.79 -44.61 95.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -148.87 154.14 39.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.572 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.605 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -80.96 130.01 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.537 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -41.8 99.42 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.54 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 65.2 m -60.71 -41.8 95.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 59.3 p -66.83 84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.73 152.2 27.75 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.341 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.42 -20.2 54.81 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.25 -43.34 99.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.36 . . . . 0.0 110.498 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.704 HG22 'BR ' ' C' ' 100' ' ' 3LW . 90.0 t -63.13 -44.39 99.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.11 -44.09 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.507 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.7 87.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.01 89.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.4 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.82 -46.57 84.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.804 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.61 -43.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.983 0.42 . . . . 0.0 110.564 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 92.2 mt -62.67 -42.55 96.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.506 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.46 -44.87 67.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.1 mm -66.16 -41.84 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.413 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.05 -37.72 77.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.167 0.508 . . . . 0.0 110.226 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.484 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.6 t60 -67.03 -42.95 84.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.502 ' CD1' ' CG2' ' C' ' 33' ' ' ILE . 1.3 mt -60.58 -45.49 93.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.858 -178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . 0.412 HG13 ' N ' ' D' ' 40' ' ' LEU . 23.1 pt -62.65 -41.2 91.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.408 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.412 ' N ' HG13 ' D' ' 39' ' ' ILE . 13.8 mt -71.06 -44.11 66.44 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.256 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.487 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 61.4 t90 -69.76 -46.59 65.5 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.455 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.5 tp -62.99 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.99 0.424 . . . . 0.0 110.152 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.43 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 36.7 mt -63.1 -37.79 88.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.22 -42.26 94.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.244 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.444 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.9 mtt-85 -75.56 -20.75 58.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.262 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.35 -45.18 94.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.758 0.313 . . . . 0.0 110.75 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -62.95 -44.56 95.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -148.89 154.32 39.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.551 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.127 'BR ' ' ND2' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -85.04 139.67 31.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -89.95 -0.94 57.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.68 -33.85 72.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.05 91.13 6.04 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.14 153.37 77.12 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.743 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -47.91 -38.75 31.5 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.27 1.98 . . . . 0.0 112.126 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.91 -42.92 99.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.556 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.4 t -63.51 -47.52 91.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -44.33 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.63 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.786 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.04 93.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.98 -42.58 99.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.928 0.395 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.09 -42.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.322 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 4.2 mm -62.39 -43.56 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.43 97.82 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.22 -43.25 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.416 . . . . 0.0 110.534 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.62 -40.53 95.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.92 -41.9 88.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.487 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 ' ND1' ' D' ' 37' ' ' HIS . 8.4 mt -61.77 -37.82 85.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.7 -44.93 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.7 mp -75.64 -44.59 41.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.092 0.473 . . . . 0.0 111.274 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.81 -45.77 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.536 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.3 tt -64.61 -32.24 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.013 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -60.42 -44.71 95.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.261 0.553 . . . . 0.0 109.752 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 66.6 t0 -63.35 -39.17 93.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.45 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 48' ' ' PHE . 58.7 ttm-85 -80.16 -20.19 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' ILE . 49.6 tp -62.48 -46.45 88.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.608 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -70.24 -39.97 74.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.647 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 7.1 m-85 -123.66 129.85 51.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.38 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.563 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -85.08 140.24 31.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -90.42 -0.88 57.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.57 -33.77 71.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m -81.07 91.07 6.05 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.1 153.13 77.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.727 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.62 -38.84 29.39 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.314 2.009 . . . . 0.0 112.129 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.04 -42.75 99.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.553 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.56 -47.56 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.465 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.67 -44.37 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.46 94.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.632 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.79 95.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.02 -42.52 99.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.395 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.04 -43.04 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.263 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.466 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 3.9 mm -62.22 -43.56 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -43.25 97.97 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.28 -43.38 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.66 -40.96 96.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.639 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.2 t60 -58.59 -41.73 86.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.5 mt -61.84 -37.9 86.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.042 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.66 -45.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.6 mp -75.56 -44.73 41.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -63.4 -46.67 85.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.489 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.597 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.4 tt -63.81 -32.39 56.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 43' ' ' LEU . 2.4 tt -60.35 -44.57 95.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 0.0 109.831 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 65.7 t0 -63.52 -39.38 94.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.464 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' B' ' 48' ' ' PHE . 58.9 ttm-85 -79.87 -20.17 46.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.698 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' B' ' 42' ' ' ILE . 49.4 tp -62.56 -46.26 89.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.694 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.43 -40.1 74.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.58 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' B' ' 45' ' ' ARG . 7.0 m-85 -123.44 130.16 52.3 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.358 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.482 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.34 139.92 31.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -90.33 -0.74 57.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -59.67 -33.58 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 59.8 m -81.12 90.26 6.03 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.231 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -78.52 153.07 78.7 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.77 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.56 -38.74 28.73 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.27 1.98 . . . . 0.0 112.131 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.12 -42.79 99.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.575 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.394 HG22 'BR ' ' C' ' 100' ' ' 3LW . 71.9 t -63.45 -47.27 92.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.525 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 70.8 t -65.69 -44.34 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.62 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.65 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.21 95.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.56 -42.46 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.49 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.16 -42.95 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.287 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 4.2 mm -62.37 -43.47 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.31 97.79 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -43.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.968 0.413 . . . . 0.0 110.448 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.69 -40.7 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -58.85 -41.88 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.639 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.6 mt -61.69 -37.97 86.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.67 -44.99 98.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.175 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.494 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.7 mp -75.48 -44.79 42.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.26 0.553 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.462 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.596 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.4 tt -64.32 -32.28 56.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.957 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.63 HD23 ' O ' ' C' ' 43' ' ' LEU . 2.3 tt -60.43 -44.4 95.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.27 0.557 . . . . 0.0 109.77 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 66.6 t0 -63.62 -39.34 94.1 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.592 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' C' ' 48' ' ' PHE . 58.6 ttm-85 -79.83 -20.26 46.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' C' ' 42' ' ' ILE . 50.4 tp -62.59 -46.17 89.53 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.713 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.38 -39.89 74.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' C' ' 45' ' ' ARG . 7.0 m-85 -123.8 130.17 52.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.382 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.528 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -85.41 140.06 31.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.246 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -90.31 -1.11 57.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -59.33 -33.55 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 63.7 m -81.48 91.01 6.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.973 0.416 . . . . 0.0 110.203 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.21 153.21 76.9 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.676 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -47.66 -39.01 29.94 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.301 2.001 . . . . 0.0 112.089 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.83 -42.78 99.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.56 -47.35 91.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.68 -44.4 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.62 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.56 94.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.852 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 98.5 m-20 -63.48 -42.12 98.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.487 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.0 94.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.377 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.2 mm -62.37 -43.45 98.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.585 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.36 98.19 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.12 -43.44 97.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.998 0.427 . . . . 0.0 110.383 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.48 -40.72 95.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.927 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.647 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.2 t60 -58.91 -41.92 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.489 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.7 mt -61.53 -37.99 85.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.77 -45.05 98.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.178 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.498 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.6 mp -75.43 -44.58 43.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.202 0.525 . . . . 0.0 111.308 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -63.79 -46.25 86.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.467 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.609 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.4 tt -64.17 -32.43 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.066 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 43' ' ' LEU . 2.4 tt -60.25 -44.75 95.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.237 0.542 . . . . 0.0 109.726 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 66.6 t0 -63.34 -39.13 93.7 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' D' ' 48' ' ' PHE . 58.3 ttm-85 -79.99 -20.28 45.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' D' ' 42' ' ' ILE . 50.4 tp -62.58 -46.42 88.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.641 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -70.26 -39.76 74.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' D' ' 45' ' ' ARG . 7.1 m-85 -123.82 130.07 52.04 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.532 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.394 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.56 33.84 21.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 22' ' ' SER . 42.7 p-10 -66.17 -34.15 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 19.9 m -59.79 -39.74 85.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.495 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.5 p 49.7 21.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.152 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 12.4 p-10 -44.85 106.69 0.56 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.521 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.93 -16.99 20.1 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.66 1.573 . . . . 0.0 112.381 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.9 mp -62.59 -42.51 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.553 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.98 -45.8 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.27 -44.16 97.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.387 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -30.86 69.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.48 65.6 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.474 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.59 -46.61 68.91 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.191 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' A' ' 33' ' ' ILE . 19.8 tt -66.1 -43.25 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.598 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' A' ' 32' ' ' ILE . 84.9 mt -64.07 -43.71 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.389 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -45.64 96.2 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.05 -42.72 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.177 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.79 -41.16 95.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.209 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.56 -41.74 86.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.109 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.4 mt -61.06 -40.08 92.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.224 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.09 -44.76 99.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.553 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.0 -43.46 62.12 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.314 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.43 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.0 t90 -67.37 -47.39 70.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.645 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -64.01 -36.55 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.917 0.389 . . . . 0.0 110.103 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.36 -43.52 98.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.338 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -65.58 -44.04 87.88 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.376 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 48' ' ' PHE . 78.9 ttt-85 -69.74 -17.92 63.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.591 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.52 -4.79 28.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.209 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 45' ' ' ARG . 85.3 m-85 -132.05 147.54 52.45 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.667 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.609 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 55.69 33.63 21.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.494 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 22' ' ' SER . 42.8 p-10 -66.11 -34.07 77.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 20.3 m -59.81 -39.78 86.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 89.6 p 49.74 21.89 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.068 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 12.4 p-10 -44.7 106.57 0.54 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.86 -16.94 20.33 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.659 1.573 . . . . 0.0 112.426 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.9 mp -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.471 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 1.345 HG22 'BR ' ' C' ' 100' ' ' 3LW . 83.7 t -64.04 -45.82 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.21 -44.2 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.404 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -30.81 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.95 -40.4 65.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.455 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -68.53 -46.76 68.71 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.511 HG23 ' N ' ' B' ' 33' ' ' ILE . 19.8 tt -66.13 -43.11 92.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.671 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.511 ' N ' HG23 ' B' ' 32' ' ' ILE . 84.9 mt -64.1 -43.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.429 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.96 -45.48 96.49 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.94 -42.76 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.289 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.8 -40.97 94.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.613 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.36 -42.26 86.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.108 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.604 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.8 mt -61.01 -39.98 91.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.102 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.08 -44.84 99.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.635 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.0 -43.56 62.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.285 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.9 t90 -67.28 -47.38 70.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.4 tt -64.0 -36.64 77.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.914 0.387 . . . . 0.0 110.054 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.27 -43.8 98.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.32 -44.06 89.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.0 ttt-85 -69.63 -17.96 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.2 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.598 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.5 -4.83 27.96 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.123 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.457 ' O ' ' O ' ' B' ' 45' ' ' ARG . 85.0 m-85 -132.11 147.53 52.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.627 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.47 33.8 21.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.626 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' C' ' 22' ' ' SER . 42.6 p-10 -66.29 -34.06 77.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.519 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 19.9 m -59.81 -39.74 86.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p 49.64 22.09 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.022 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 12.3 p-10 -44.91 106.61 0.55 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.399 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.82 -16.99 20.4 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 121.617 1.545 . . . . 0.0 112.429 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.519 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.9 mp -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.511 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.62 HG13 'BR ' ' C' ' 100' ' ' 3LW . 81.0 t -64.11 -45.66 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.38 -44.15 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.71 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.25 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -68.79 -46.66 68.14 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.068 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.51 HG23 ' N ' ' C' ' 33' ' ' ILE . 19.8 tt -66.19 -43.13 92.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.605 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.51 ' N ' HG23 ' C' ' 32' ' ' ILE . 85.4 mt -64.0 -43.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.45 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.99 -45.47 96.54 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.06 -42.8 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.207 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.75 -41.13 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.222 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.43 -41.84 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.134 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.613 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.3 mt -61.05 -40.06 92.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.2 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.23 -44.73 99.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.456 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.11 -43.49 61.62 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.7 t90 -67.35 -47.21 71.11 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.639 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.549 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -64.18 -36.57 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.042 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.35 -43.68 98.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.161 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -65.35 -44.08 88.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.51 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' C' ' 48' ' ' PHE . 79.0 ttt-85 -69.77 -17.9 63.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.36 -43.49 98.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.526 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -100.38 -4.64 28.65 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.251 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' C' ' 45' ' ' ARG . 85.6 m-85 -132.18 147.44 52.42 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 110.593 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.626 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 55.7 33.55 21.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' D' ' 22' ' ' SER . 42.8 p-10 -66.05 -34.2 77.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.516 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 20.2 m -59.84 -39.62 85.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' D' ' 22' ' ' SER . 89.1 p 49.56 22.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.055 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 12.3 p-10 -44.74 106.63 0.55 Allowed Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.477 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.98 -16.89 20.02 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.6 1.533 . . . . 0.0 112.364 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.0 mp -62.72 -42.42 99.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.566 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -64.03 -45.86 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.564 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.05 -44.25 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.448 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -30.88 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.285 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -40.55 65.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.51 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -68.51 -46.64 69.08 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.202 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.519 HG23 ' N ' ' D' ' 33' ' ' ILE . 19.8 tt -66.1 -43.3 92.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.737 0.303 . . . . 0.0 110.579 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.519 ' N ' HG23 ' D' ' 32' ' ' ILE . 85.2 mt -63.98 -43.76 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.456 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.47 96.52 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.98 -42.84 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.864 0.364 . . . . 0.0 110.296 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.75 -40.93 94.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.238 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.604 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.5 -42.05 86.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.115 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.5 mt -60.95 -40.09 92.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.02 -44.83 99.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.607 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.14 -43.52 61.48 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.273 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.3 t90 -67.34 -47.31 70.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.581 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.4 tt -64.12 -36.63 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.25 -43.69 98.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.271 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -65.53 -43.87 88.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.385 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' D' ' 48' ' ' PHE . 79.0 ttt-85 -69.85 -17.8 63.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.79 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.31 -43.41 98.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.652 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.47 -4.81 28.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.208 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.449 ' O ' ' O ' ' D' ' 45' ' ' ARG . 85.4 m-85 -132.06 147.52 52.45 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.89 0.376 . . . . 0.0 110.536 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.531 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.345 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 55.69 34.26 22.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -67.06 -30.35 70.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.94 -41.36 91.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.8 p -65.01 87.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.879 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.05 150.04 4.47 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.57 -37.46 20.23 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.959 1.773 . . . . 0.0 112.501 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -62.01 -41.54 98.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.429 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.06 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.12 -44.85 99.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.437 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.75 75.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.693 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.63 -38.75 64.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.66 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.73 -41.9 97.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.664 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.79 -42.99 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.697 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' B' ' 38' ' ' LEU . 1.6 mp -60.34 -44.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.38 -51.53 53.78 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.399 -0.905 . . . . 0.0 110.941 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mm -67.83 -42.95 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.44 -45.84 92.61 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.798 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.702 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.0 t60 -59.13 -40.2 84.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.2 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 42' ' ' ILE . 12.6 mt -61.26 -38.81 88.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.71 -44.18 98.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.123 -0.631 . . . . 0.0 109.963 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.97 -44.15 61.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.249 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.85 -46.22 72.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.719 0.295 . . . . 0.0 111.583 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.5 tp -64.76 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.903 0.382 . . . . 0.0 110.17 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.05 -43.35 99.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.261 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' CG ' HH12 ' B' ' 45' ' ' ARG . 68.4 t0 -61.42 -42.77 99.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.391 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' D' ' 44' ' ' ASP . 58.0 ttt85 -67.96 -19.92 65.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.8 tt -62.02 -45.29 94.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.317 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -61.54 -46.91 87.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -153.72 157.49 39.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.57 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.501 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 55.68 34.36 23.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.05 -30.54 70.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -59.99 -41.36 91.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.409 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -64.86 86.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.97 150.16 4.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.692 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -46.74 -37.3 20.86 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.887 1.725 . . . . 0.0 112.542 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.4 mp -62.2 -41.31 98.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.453 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.22 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.434 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -63.09 -44.72 99.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.746 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -38.84 64.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.681 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -63.81 -41.82 97.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.681 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.63 -43.11 98.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.715 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.482 HG23 HD11 ' C' ' 38' ' ' LEU . 1.6 mp -60.65 -44.16 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.44 -51.54 53.87 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 120.434 -0.888 . . . . 0.0 110.903 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 31.4 mm -67.87 -42.97 86.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.27 -45.97 92.28 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.656 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -59.0 -40.3 84.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.137 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.702 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.6 mt -61.25 -38.88 88.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.53 -44.21 98.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.949 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.51 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -73.01 -44.26 61.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.255 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -67.97 -46.03 72.53 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.505 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.598 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.5 tp -64.65 -34.87 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.1 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.337 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.485 ' CG ' HH12 ' C' ' 45' ' ' ARG . 67.7 t0 -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.391 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.486 HH12 ' CG ' ' A' ' 44' ' ' ASP . 58.0 ttt85 -68.05 -19.96 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.596 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.8 tt -62.13 -45.19 94.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.213 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.51 -46.8 88.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -153.69 157.72 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.551 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.495 179.848 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 55.68 34.21 22.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -66.96 -30.51 70.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -59.82 -41.44 91.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.524 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -65.01 86.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.91 150.09 4.23 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -46.47 -37.47 19.75 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.969 1.78 . . . . 0.0 112.563 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.15 -41.43 98.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.425 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.265 HG22 'BR ' ' C' ' 100' ' ' 3LW . 84.3 t -62.07 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.452 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.23 -44.7 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.442 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.79 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.687 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -38.7 64.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.65 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -63.88 -41.66 97.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.684 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.59 -43.21 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.688 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.495 HG23 HD11 ' D' ' 38' ' ' LEU . 1.6 mp -60.63 -44.31 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.328 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.57 -51.24 56.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.03 -42.87 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.73 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.46 -45.91 92.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.04 -40.24 84.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.203 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.656 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.7 mt -61.19 -38.93 88.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.17 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.58 -44.13 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 120.186 -0.605 . . . . 0.0 110.0 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.512 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -73.0 -44.29 61.2 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.19 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -67.83 -46.16 72.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.638 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.61 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.4 tp -64.67 -34.77 72.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.91 0.386 . . . . 0.0 110.23 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.08 -43.4 98.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.497 ' CG ' HH12 ' D' ' 45' ' ' ARG . 68.3 t0 -61.46 -42.66 99.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.386 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.485 HH12 ' CG ' ' B' ' 44' ' ' ASP . 58.2 ttt85 -68.2 -19.84 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.599 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.8 tt -61.93 -45.27 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.344 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -61.53 -46.81 88.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -153.67 157.66 39.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.635 179.741 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 55.65 34.22 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.612 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.83 -30.73 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t -59.72 -41.44 90.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.512 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -64.93 86.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.844 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.04 150.26 4.3 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.715 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -46.63 -37.54 20.68 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.92 1.747 . . . . 0.0 112.556 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -61.97 -41.46 98.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.841 HG13 'BR ' ' C' ' 100' ' ' 3LW . 83.4 t -62.1 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.2 -44.67 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.68 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.55 -38.89 64.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -63.69 -41.78 98.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.784 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.61 -43.22 98.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.689 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 1.6 mp -60.57 -44.19 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.45 -51.66 53.04 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -67.81 -42.79 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.54 -45.96 91.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.717 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.596 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -58.98 -40.26 84.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.16 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.7 mt -61.41 -38.84 88.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.67 -44.09 98.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.978 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.512 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.9 mm? -73.02 -44.07 61.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.275 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -68.03 -46.17 71.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.563 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.615 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.4 tp -64.72 -34.58 70.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.182 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.09 -43.33 99.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.259 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' CG ' HH12 ' A' ' 45' ' ' ARG . 68.3 t0 -61.56 -42.73 99.27 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.387 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.497 HH12 ' CG ' ' C' ' 44' ' ' ASP . 58.0 ttt85 -67.91 -20.08 65.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.61 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.8 tt -61.93 -45.3 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.267 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 87.2 m-85 -61.5 -46.79 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.77 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.405 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 92.7 m-85 -153.75 157.55 39.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.625 179.768 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.265 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.64 30.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -80.52 -3.35 49.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.23 -16.52 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.626 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.5 t -148.1 125.91 11.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.042 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 152.62 89.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.338 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.39 -20.34 54.91 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.505 2.137 . . . . 0.0 111.791 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HG ' HD22 ' B' ' 31' ' ' ASN . 56.1 tp -62.56 -43.7 98.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.492 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.8 -43.34 97.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.499 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.26 -43.69 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.399 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.74 77.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.44 98.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.41 HD22 ' HG ' ' D' ' 26' ' ' LEU . 46.0 t-20 -65.47 -42.72 91.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.54 -43.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.456 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 85.8 mt -62.72 -43.62 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.554 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -43.16 97.73 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.95 -40.37 95.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -58.99 -42.43 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.353 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.4 mt -60.61 -40.55 92.26 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.93 -43.94 98.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.377 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.45 -43.21 60.79 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.254 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.7 t90 -67.5 -46.51 72.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.454 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 38' ' ' LEU . 4.0 tp -64.16 -41.6 92.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.397 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.9 mt -63.23 -40.36 97.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 99.6 m-20 -57.6 -44.19 85.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.917 0.389 . . . . 0.0 110.468 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 49.6 mmm-85 -65.65 -37.29 86.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.544 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.05 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -72.01 -55.81 6.74 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.027 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.482 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.592 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.85 39.57 30.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -80.39 -3.29 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.37 -16.38 63.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.627 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -148.31 125.79 11.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.28 152.52 90.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.303 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.38 -20.32 54.98 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.469 2.113 . . . . 0.0 111.749 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' C' ' 31' ' ' ASN . 56.2 tp -62.57 -43.76 98.01 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.472 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.951 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 79.0 t -63.65 -43.54 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.27 -43.64 96.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.372 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.83 77.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.554 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -42.41 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.609 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.405 HD22 ' HG ' ' A' ' 26' ' ' LEU . 46.8 t-20 -65.26 -42.73 92.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.79 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.5 -43.78 96.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.463 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 85.6 mt -63.01 -43.36 99.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.08 97.99 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.14 -43.31 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.94 -40.33 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.521 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -59.05 -42.37 90.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.393 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.2 mt -60.54 -40.8 92.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.912 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.92 -43.96 98.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.418 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.39 -42.94 61.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.435 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 73.2 t90 -67.77 -46.56 71.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.524 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.516 HG22 ' O ' ' B' ' 38' ' ' LEU . 4.0 tp -63.99 -41.62 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.452 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 36.1 mt -63.26 -40.22 96.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.633 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 99.8 m-20 -57.71 -44.33 85.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.308 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.536 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 49.8 mmm-85 -65.57 -37.34 86.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.477 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.93 -44.78 96.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.721 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.13 -56.03 6.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.044 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -136.05 147.58 47.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.476 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.571 179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.08 39.48 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.474 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -80.52 -3.27 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.475 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -65.32 -16.35 63.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.582 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -148.28 125.72 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.176 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.27 152.46 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.307 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.27 -20.41 55.63 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.633 2.222 . . . . 0.0 111.712 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.58 -43.74 98.06 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.419 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.67 -43.5 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.418 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.31 -43.53 96.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.418 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -41.78 77.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.34 98.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.65 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.598 ' HB2' 'BR ' ' C' ' 100' ' ' 3LW . 46.8 t-20 -65.33 -42.65 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.694 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.6 -43.83 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.459 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 85.4 mt -62.85 -43.33 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.77 98.38 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.37 -43.1 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.15 -40.36 95.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.351 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.28 90.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.357 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.2 mt -60.58 -40.64 92.45 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.97 -43.92 98.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.398 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.45 -43.04 61.19 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.436 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 73.0 t90 -67.58 -46.56 72.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.429 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.506 HG22 ' O ' ' C' ' 38' ' ' LEU . 4.0 tp -64.11 -41.59 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.443 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 36.3 mt -63.18 -40.29 97.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.671 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.529 ' CB ' HH12 ' D' ' 45' ' ' ARG . 99.7 m-20 -57.57 -44.43 85.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.861 0.362 . . . . 0.0 110.277 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 49.8 mmm-85 -65.5 -37.34 86.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.06 -44.82 95.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.748 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -71.92 -55.7 7.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.391 . . . . 0.0 111.086 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -136.47 147.76 47.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.575 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 55.89 39.72 30.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.586 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -80.72 -3.09 49.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -65.48 -16.53 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.668 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 39.6 t -148.08 125.55 11.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.388 . . . . 0.0 110.09 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.04 152.53 90.72 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.288 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.32 -20.41 55.34 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.659 2.239 . . . . 0.0 111.758 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.41 ' HG ' HD22 ' A' ' 31' ' ' ASN . 56.4 tp -62.56 -43.73 98.08 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.467 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -63.74 -43.46 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.469 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.17 -43.57 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.86 77.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.508 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.58 98.78 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -65.3 -42.67 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.713 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.72 96.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.538 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 84.5 mt -63.01 -43.36 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.61 -43.12 97.95 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.1 -43.35 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 0.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -61.98 -40.3 95.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.386 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -59.13 -42.34 90.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.334 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.3 mt -60.47 -40.79 92.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.04 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.81 -44.14 98.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.355 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.34 -43.21 61.19 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.266 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.44 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 73.1 t90 -67.44 -46.71 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.435 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.527 HG22 ' O ' ' D' ' 38' ' ' LEU . 4.0 tp -64.09 -41.59 92.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.48 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' D' ' 42' ' ' ILE . 36.0 mt -63.15 -40.43 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.546 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 99.7 m-20 -57.52 -44.31 84.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.39 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.529 HH12 ' CB ' ' C' ' 44' ' ' ASP . 49.6 mmm-85 -65.51 -37.37 86.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.05 -44.67 96.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -72.08 -56.02 6.34 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.017 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -136.08 147.79 48.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.563 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.951 'BR ' ' HA ' ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -62.96 -40.76 98.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.546 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 22' ' ' SER . 41.8 p-10 -64.13 -34.66 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.504 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 62.6 m -60.15 -42.41 94.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.47 121.5 10.72 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.24 151.44 72.53 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.357 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.07 -20.82 49.99 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 C-N-CA 122.648 2.232 . . . . 0.0 111.983 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.767 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' HA ' HD21 ' B' ' 31' ' ' ASN . 74.0 t -63.11 -47.21 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.369 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.19 -44.53 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' B' ' 31' ' ' ASN . . . -59.63 -42.01 91.73 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.468 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' D' ' 30' ' ' ALA . 98.5 m-20 -64.1 -43.78 94.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.477 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.59 -43.56 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.503 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 82.1 mt -61.43 -43.08 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.671 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.63 -40.81 95.18 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.35 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.646 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 -39.62 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.413 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -58.74 -42.78 89.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.244 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' ND1' ' D' ' 37' ' ' HIS . 6.8 mt -61.9 -40.19 94.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.457 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.5 -44.02 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.38 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.85 -44.44 55.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 70.7 t90 -66.59 -47.02 74.03 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.1 tt -63.62 -35.48 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.02 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.641 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.71 -42.91 99.88 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.026 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -77.56 -23.27 50.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.736 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ILE . 54.6 tp -61.82 -44.96 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -89.64 -63.56 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.998 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.59 120.24 41.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.215 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.652 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.09 -40.71 98.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 22' ' ' SER . 41.5 p-10 -64.15 -34.74 78.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.515 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 62.4 m -60.14 -42.46 94.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -145.4 121.52 10.79 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.058 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.21 151.41 72.58 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.398 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.05 -20.74 50.19 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 122.588 2.192 . . . . 0.0 112.048 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.83 -42.12 99.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.672 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.05 -47.38 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.363 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.97 -44.62 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.548 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.773 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.414 ' CB ' ' OD1' ' C' ' 31' ' ' ASN . . . -59.69 -41.89 91.74 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.562 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 27' ' ' VAL . 98.4 m-20 -64.05 -43.82 94.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.931 0.396 . . . . 0.0 110.495 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.51 -43.51 94.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 83.0 mt -61.54 -42.96 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.745 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -40.8 95.27 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.93 -44.4 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.74 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -39.69 94.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.492 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -58.7 -42.71 89.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.246 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 6.7 mt -61.92 -40.19 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.464 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.53 -43.99 98.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.445 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -73.68 -44.44 56.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 70.3 t90 -66.73 -47.08 73.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.66 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.0 tt -63.6 -35.54 73.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.13 -43.55 98.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.62 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.036 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -77.52 -23.28 50.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' B' ' 42' ' ' ILE . 54.7 tp -61.79 -44.94 95.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.7 -63.63 1.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.46 120.01 41.0 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.322 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 pttt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.735 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 13.6 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.406 ' N ' ' OG ' ' C' ' 19' ' ' SER . 93.5 m-20 -63.06 -40.87 98.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' C' ' 22' ' ' SER . 41.7 p-10 -63.92 -34.74 78.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.759 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 62.7 m -60.15 -42.42 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.2 m -145.39 121.56 10.81 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.14 151.39 72.77 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.298 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.07 -20.89 49.91 Favored 'Trans proline' 0 N--CA 1.498 1.787 0 C-N-CA 122.555 2.17 . . . . 0.0 112.01 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.72 -42.15 99.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.747 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.083 HG13 'BR ' ' C' ' 100' ' ' 3LW . 72.8 t -63.01 -47.39 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t -66.06 -44.51 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.603 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.57 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.08 91.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.547 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.463 ' CG ' 'BR ' ' C' ' 100' ' ' 3LW . 98.2 m-20 -64.15 -43.61 94.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.72 -43.38 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 82.0 mt -61.63 -42.99 96.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.688 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.66 -40.73 95.15 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.92 -44.41 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.62 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -58.8 -42.86 90.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.147 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' B' ' 37' ' ' HIS . 6.8 mt -61.87 -40.18 94.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.453 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.56 -44.01 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.391 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.64 -44.44 56.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 70.6 t90 -66.79 -47.07 73.25 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.711 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.568 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.0 tt -63.42 -35.65 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.002 0.429 . . . . 0.0 110.071 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.03 -43.61 98.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.575 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.55 -42.97 99.88 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.101 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.57 -23.38 50.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.72 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' C' ' 42' ' ' ILE . 54.7 tp -61.81 -44.94 95.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.491 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.74 -63.42 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -107.72 120.28 41.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.903 0.383 . . . . 0.0 110.176 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.766 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' D' ' 20' ' ' ASN . 13.5 p . . . . . 0 N--CA 1.488 1.455 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.402 ' N ' ' OG ' ' D' ' 19' ' ' SER . 93.5 m-20 -63.24 -40.64 98.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' D' ' 22' ' ' SER . 41.9 p-10 -64.11 -34.65 78.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.683 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.513 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 63.0 m -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 66.9 m -145.47 121.57 10.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.23 151.35 72.47 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.29 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.9 -20.94 51.01 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.6 2.2 . . . . 0.0 112.053 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.75 -42.18 99.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.98 -47.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.01 -44.65 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.481 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.74 99.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.407 ' CB ' ' OD1' ' A' ' 31' ' ' ASN . . . -59.48 -42.01 91.1 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.523 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.29 -43.58 94.33 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -43.5 94.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 82.3 mt -61.5 -43.04 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.665 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.72 -40.78 95.34 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.91 -44.42 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -39.73 94.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.526 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -58.74 -42.91 89.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.167 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.62 HD21 ' ND1' ' C' ' 37' ' ' HIS . 6.7 mt -61.79 -40.19 94.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.451 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.59 -43.89 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.377 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -73.79 -44.44 55.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 70.4 t90 -66.68 -47.23 73.1 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.605 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.576 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.9 tt -63.33 -35.76 73.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.05 0.452 . . . . 0.0 110.088 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.04 -43.52 98.77 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.678 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.73 -42.93 99.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.021 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.54 -23.27 50.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.82 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' D' ' 42' ' ' ILE . 54.9 tp -61.81 -44.92 95.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -89.75 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -107.51 120.11 41.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.261 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.711 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.083 'BR ' HG13 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 20' ' ' ASN . 78.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' N ' ' OG ' ' A' ' 19' ' ' SER . 99.6 m-20 -135.38 97.37 3.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.611 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.54 -39.73 94.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.55 -43.77 98.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.79 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 m -76.54 89.54 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.07 149.64 76.79 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.796 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.16 -38.55 14.51 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 121.861 1.707 . . . . 0.0 112.271 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.15 -41.27 97.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.156 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.87 -49.63 83.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 120.814 0.34 . . . . 0.0 110.706 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 29' ' ' ALA . 29.6 m -68.52 -41.62 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -62.52 -39.43 93.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.523 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.7 99.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.463 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.18 -42.14 96.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.29 -44.04 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 90.5 mt -63.45 -43.35 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.578 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.33 -43.48 97.29 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.87 -43.51 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.363 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -40.73 96.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.562 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.3 t60 -58.36 -42.89 87.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.03 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 10.2 mt -61.55 -38.31 87.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.01 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.405 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.32 -44.47 52.38 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -64.94 -46.08 83.09 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.7 tt -62.86 -38.64 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.095 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.59 -40.52 95.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 16.3 t70 -61.3 -40.15 93.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 37.3 mmt180 -68.31 -19.3 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.0 tt -62.15 -42.68 99.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.975 0.417 . . . . 0.0 109.965 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -68.11 1.44 2.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.729 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -132.15 149.93 52.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.642 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.27 97.31 3.68 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -76.75 89.67 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.23 149.56 76.17 Favored Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -45.13 -38.42 14.19 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.801 1.668 . . . . 0.0 112.394 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.17 -41.37 97.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.7 -49.82 82.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 120.97 0.414 . . . . 0.0 110.796 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.429 HG23 ' N ' ' B' ' 29' ' ' ALA . 29.3 m -68.58 -41.45 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.411 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.429 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -62.7 -39.28 93.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.61 98.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.517 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.03 -44.04 95.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 91.7 mt -63.54 -43.42 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.615 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.57 -42.99 97.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.08 -43.44 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.295 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.28 -40.63 96.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.495 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.649 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.1 t60 -58.45 -42.68 87.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.082 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.8 mt -61.6 -38.32 87.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.04 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.382 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.06 -44.73 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.164 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.59 -46.2 83.72 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.7 tt -62.79 -38.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 110.136 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.8 mt -61.6 -40.42 94.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 16.5 t70 -61.38 -40.14 93.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 37.2 mmt180 -68.26 -19.43 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.62 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -62.09 -42.69 99.47 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.922 0.391 . . . . 0.0 110.038 -179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -67.93 1.28 2.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.76 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.07 149.96 52.28 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.717 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' C' ' 20' ' ' ASN . 79.0 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.41 ' N ' ' OG ' ' C' ' 19' ' ' SER . 99.5 m-20 -135.34 97.27 3.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.46 -39.74 94.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.71 -43.64 98.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.809 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.58 89.52 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -77.98 149.6 77.02 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -45.13 -38.58 14.38 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.957 1.772 . . . . 0.0 112.333 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.18 -41.33 97.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.177 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.61 -49.86 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.78 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.421 HG23 ' N ' ' C' ' 29' ' ' ALA . 29.3 m -68.39 -41.62 83.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.443 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.421 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -62.58 -39.29 93.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.521 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.97 99.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.57 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.02 -42.24 97.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.13 -44.02 95.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 91.2 mt -63.49 -43.44 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.15 97.63 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.04 -43.37 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.26 -40.6 96.73 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.617 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.663 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -58.57 -42.64 88.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.045 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.649 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -61.62 -38.34 87.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.94 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.35 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.37 -44.26 52.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.169 -0.613 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -65.04 -45.9 83.51 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.7 tt -63.07 -38.39 81.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.17 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.8 -40.27 94.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.478 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.537 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 16.3 t70 -61.44 -40.11 93.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.453 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 37.2 mmt180 -68.52 -19.22 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.691 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.1 tt -62.18 -42.69 99.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -68.12 1.43 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -132.02 149.99 52.27 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.664 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -135.2 97.16 3.65 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -64.56 -39.66 94.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.515 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.58 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 7.2 m -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.862 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.3 149.6 76.0 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -45.11 -38.58 14.27 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.805 1.67 . . . . 0.0 112.223 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.17 -41.26 97.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.894 HG13 'BR ' ' C' ' 100' ' ' 3LW . 71.4 t -61.77 -49.71 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.772 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.435 HG23 ' N ' ' D' ' 29' ' ' ALA . 29.8 m -68.47 -41.66 83.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.338 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.435 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -62.42 -39.55 93.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.656 ' HB3' 'BR ' ' C' ' 100' ' ' 3LW . . . -61.05 -42.82 99.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.54 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.22 -42.21 96.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.12 -43.95 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.46 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 91.0 mt -63.59 -43.53 98.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.564 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.39 -43.0 97.74 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.2 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.22 -40.6 96.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.637 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -58.46 -42.73 88.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.075 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.663 HD21 ' ND1' ' C' ' 37' ' ' HIS . 10.0 mt -61.54 -38.42 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.063 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.95 -45.86 97.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.332 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 49.9 tp -74.28 -44.48 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -64.96 -46.05 83.15 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.7 tt -62.84 -38.66 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.828 0.347 . . . . 0.0 110.188 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.58 -40.5 94.97 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.385 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.54 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 16.4 t70 -61.24 -40.17 93.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.537 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 37.2 mmt180 -68.34 -19.23 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.757 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.1 tt -62.04 -42.85 99.61 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -67.9 1.37 2.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.716 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -132.17 149.94 52.27 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.698 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.894 'BR ' HG13 ' D' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.412 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 56.4 t-20 -63.54 -40.26 96.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.554 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 36.2 p-10 -83.75 3.62 32.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.691 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 95.0 p -61.01 -39.71 90.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.744 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -153.99 130.16 10.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.8 m-20 -69.19 151.15 97.17 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.476 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 -15.38 39.88 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.89 2.393 . . . . 0.0 112.241 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -60.45 -40.49 91.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.5 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.093 HG12 'BR ' ' C' ' 100' ' ' 3LW . 3.2 m -61.49 -42.86 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.832 0.348 . . . . 0.0 110.389 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' N ' HG23 ' A' ' 27' ' ' VAL . 96.2 t -63.99 -44.82 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.21 96.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.589 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.19 96.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.489 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -63.94 -44.78 91.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.71 -44.51 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.21 -43.84 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.771 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.4 -45.76 95.76 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.45 -43.56 98.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.374 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.18 -39.96 88.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.28 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -57.67 -41.25 81.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.319 -0.401 . . . . 0.0 109.923 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.8 mt -61.04 -38.45 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.906 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.5 mm -59.96 -46.46 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.611 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.0 mp -73.19 -42.55 62.57 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.218 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.421 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.37 75.25 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.5 tp -63.44 -38.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.206 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.85 -40.42 95.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.473 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' B' ' 45' ' ' ARG . 63.8 t0 -58.94 -45.66 89.89 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.129 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' NH1' ' OD2' ' D' ' 44' ' ' ASP . 17.5 mmm180 -75.43 -23.11 56.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.42 -44.33 96.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.498 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -91.29 -64.77 1.08 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.015 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -99.83 121.31 41.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.51 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.63 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.431 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 35.2 p-10 -83.68 3.44 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 95.6 p -60.87 -39.77 90.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 39.9 m -153.98 130.12 10.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.048 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' B' ' 27' ' ' VAL . 3.8 m-20 -69.14 151.2 97.2 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.459 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 -15.31 39.66 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 122.768 2.312 . . . . 0.0 112.262 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.4 mp -60.37 -40.54 91.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.461 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.476 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.3 m -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.756 0.313 . . . . 0.0 110.382 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.476 ' N ' HG23 ' B' ' 27' ' ' VAL . 96.4 t -63.96 -44.78 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.31 96.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.64 -40.28 96.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.8 -44.65 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.93 -44.45 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.497 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.4 -43.79 97.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.595 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.37 -45.69 95.92 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.52 -43.55 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.19 -39.84 87.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.424 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -57.79 -41.23 81.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' A' ' 37' ' ' HIS . 9.7 mt -61.09 -38.35 85.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.846 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.14 -46.31 94.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.484 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 40' ' ' LEU . 10.1 mp -73.38 -42.43 62.17 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.404 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.1 t90 -67.72 -45.47 74.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.957 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.487 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.5 tp -63.41 -38.55 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.82 -40.54 95.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.388 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.527 ' OD2' ' NH1' ' C' ' 45' ' ' ARG . 63.7 t0 -58.78 -45.89 88.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.223 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 44' ' ' ASP . 17.6 mmm180 -75.1 -23.29 57.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.06 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.4 -44.29 96.8 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.459 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -91.23 -64.78 1.08 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.087 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -99.84 121.36 41.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.385 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.611 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 56.5 t-20 -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -83.67 3.52 32.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 95.9 p -61.05 -39.55 90.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.808 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.0 m -154.07 130.22 10.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.018 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.444 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.8 m-20 -69.17 151.07 97.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.498 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.89 -15.34 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.87 2.38 . . . . 0.0 112.328 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.513 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -60.51 -40.42 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' N ' ' C' ' 28' ' ' VAL . 3.3 m -61.56 -42.72 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.382 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.479 ' N ' HG23 ' C' ' 27' ' ' VAL . 96.7 t -64.1 -44.8 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.533 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.3 96.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.22 96.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.88 -44.85 91.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.81 -44.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.535 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.401 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 97.2 mt -64.3 -43.84 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.684 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.41 -45.66 95.96 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.44 -43.62 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.262 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.23 -39.89 88.28 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.249 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.623 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -57.57 -41.37 80.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.018 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.614 HD21 ' ND1' ' B' ' 37' ' ' HIS . 9.8 mt -61.24 -38.17 85.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 32.8 mm -60.21 -46.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.52 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.564 HD12 ' N ' ' C' ' 40' ' ' LEU . 10.1 mp -73.39 -42.48 62.08 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.174 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.9 t90 -67.72 -45.51 74.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.92 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.5 tp -63.33 -38.68 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.81 0.338 . . . . 0.0 110.151 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 34.3 mt -61.87 -40.25 94.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.348 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.531 ' OD2' ' NH1' ' D' ' 45' ' ' ARG . 63.7 t0 -59.05 -45.76 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.15 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.527 ' NH1' ' OD2' ' B' ' 44' ' ' ASP . 17.5 mmm180 -75.31 -23.23 57.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.22 -44.34 96.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.592 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -91.28 -64.91 1.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -99.67 121.48 41.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.553 -179.871 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -63.46 -40.21 96.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 35.0 p-10 -83.79 3.59 32.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.667 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 96.1 p -61.05 -39.57 90.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.804 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 37.2 m -154.08 130.0 10.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' D' ' 27' ' ' VAL . 3.9 m-20 -69.12 151.08 97.28 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.94 -15.3 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.91 2.407 . . . . 0.0 112.281 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.4 mp -60.38 -40.49 91.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.457 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.2 m -61.58 -42.74 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.431 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.474 ' N ' HG23 ' D' ' 27' ' ' VAL . 96.7 t -64.1 -44.66 97.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.596 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.44 96.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.531 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.32 96.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.514 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -63.84 -44.8 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.78 -44.54 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.506 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.29 -43.74 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.709 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.55 -45.65 95.91 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.39 -43.53 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.36 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.2 -39.95 88.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.347 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.614 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -57.52 -41.35 80.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.939 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.623 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.7 mt -61.05 -38.37 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.885 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -60.1 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.499 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.557 ' N ' HD12 ' D' ' 40' ' ' LEU . 10.0 mp -73.25 -42.57 62.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.296 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.417 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.4 t90 -67.57 -45.59 75.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.058 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.492 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.4 tp -63.27 -38.63 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.182 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.84 -40.43 95.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.479 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.541 ' OD2' ' NH1' ' A' ' 45' ' ' ARG . 63.5 t0 -58.77 -45.89 88.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.531 ' NH1' ' OD2' ' C' ' 44' ' ' ASP . 17.6 mmm180 -75.0 -23.47 58.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.31 -44.29 96.86 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.525 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -91.32 -64.68 1.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -99.85 121.23 40.99 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.681 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.093 'BR ' HG12 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -64.18 -39.35 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -73.56 -5.03 37.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.796 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.21 -43.57 95.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -119.47 99.66 6.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.193 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.78 152.34 69.06 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.365 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.21 -18.45 50.73 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.479 2.12 . . . . 0.0 111.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.17 -42.87 99.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.02 -44.6 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.333 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.29 -44.52 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.37 90.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.568 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.74 98.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.767 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -64.26 -44.1 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.92 -43.24 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.47 -43.59 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.432 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -46.48 94.37 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -42.83 95.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.778 0.323 . . . . 0.0 110.332 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.05 -38.31 82.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.112 0.482 . . . . 0.0 110.029 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.577 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -65.78 -42.88 90.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.678 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD21 ' ND1' ' D' ' 37' ' ' HIS . 2.3 mt -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.969 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.65 -41.36 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.71 -44.29 67.2 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.409 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 58.5 t90 -67.18 -48.79 66.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.621 0.248 . . . . 0.0 111.129 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.5 tt -64.96 -41.71 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.061 0.458 . . . . 0.0 110.211 -179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 42' ' ' ILE . 45.8 tp -63.63 -41.57 98.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.3 -31.28 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.0 ttt85 -56.5 -37.98 71.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.4 mp -61.29 -43.24 99.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.364 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -63.23 -45.78 90.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.654 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 45' ' ' ARG . 84.5 m-85 -129.06 133.7 47.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.572 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.23 -39.37 93.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.55 -4.85 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -60.24 -43.54 95.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.783 0.325 . . . . 0.0 110.485 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.57 99.54 6.73 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.405 ' OD1' HG23 ' B' ' 27' ' ' VAL . 0.8 OUTLIER -81.56 152.33 69.7 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.38 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.26 -18.31 50.35 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.506 2.137 . . . . 0.0 111.994 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -42.87 99.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 1.462 HG22 'BR ' ' C' ' 100' ' ' 3LW . 86.1 t -64.87 -44.69 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.392 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.29 -44.53 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.55 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.52 90.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.0 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -64.16 -44.14 93.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.549 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.9 -43.14 93.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.443 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.404 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 4.5 mm -62.56 -43.57 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.385 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -46.41 94.53 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.84 -42.91 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.301 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.91 -38.35 82.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.11 0.481 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.574 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -65.84 -42.94 89.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.645 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.577 HD21 ' ND1' ' A' ' 37' ' ' HIS . 2.3 mt -59.48 -47.31 86.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.856 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 18.3 pt -60.76 -41.44 88.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.136 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.69 -44.25 67.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.437 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 58.7 t90 -67.05 -48.71 67.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.618 0.247 . . . . 0.0 111.203 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.498 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.5 tt -65.21 -41.52 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.096 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.442 ' N ' HG23 ' B' ' 42' ' ' ILE . 45.3 tp -63.69 -41.53 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.56 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.4 -31.09 71.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' B' ' 48' ' ' PHE . 59.9 ttt85 -56.7 -37.85 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.482 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.553 ' N ' HD12 ' B' ' 46' ' ' LEU . 10.4 mp -61.45 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.267 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -63.04 -45.97 89.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.653 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' B' ' 45' ' ' ARG . 84.3 m-85 -129.0 133.78 47.89 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.506 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.536 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.15 -39.46 94.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -73.39 -4.88 36.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 t -60.26 -43.55 96.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.888 0.375 . . . . 0.0 110.485 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 47.8 t -119.66 99.63 6.77 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.142 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.401 ' OD1' HG23 ' C' ' 27' ' ' VAL . 0.8 OUTLIER -81.72 152.43 69.36 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.367 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.17 -18.45 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 122.485 2.124 . . . . 0.0 111.939 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.25 -42.72 99.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.656 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.495 HG13 'BR ' ' C' ' 100' ' ' 3LW . 83.6 t -64.99 -44.67 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.347 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.24 -44.55 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.46 90.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.624 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.92 98.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.739 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.534 ' ND2' ' S ' ' C' ' 100' ' ' 3LW . 8.3 m120 -64.09 -44.32 92.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.431 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.97 -42.99 92.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.587 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.52 -43.66 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.456 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.64 -46.65 94.02 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.66 -42.92 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.96 -38.3 82.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.16 0.505 . . . . 0.0 109.96 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.575 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -65.96 -42.87 89.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.574 HD21 ' ND1' ' B' ' 37' ' ' HIS . 2.3 mt -59.55 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.893 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 18.5 pt -60.69 -41.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.113 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -70.66 -44.17 67.61 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.486 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 58.9 t90 -67.28 -48.68 66.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 111.13 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.496 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.5 tt -64.98 -41.69 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.41 . . . . 0.0 110.128 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.428 ' N ' HG23 ' C' ' 42' ' ' ILE . 45.2 tp -63.72 -41.52 98.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.508 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.3 -31.17 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' C' ' 48' ' ' PHE . 59.9 ttt85 -56.71 -37.95 71.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.453 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.557 ' N ' HD12 ' C' ' 46' ' ' LEU . 10.4 mp -61.26 -43.21 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.368 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.19 -45.92 89.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.574 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' C' ' 45' ' ' ARG . 84.3 m-85 -129.07 133.75 47.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.53 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -64.07 -39.43 94.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -73.52 -5.09 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -60.22 -43.45 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.399 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -119.69 99.67 6.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.145 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.4 ' OD1' HG23 ' D' ' 27' ' ' VAL . 0.8 OUTLIER -81.75 152.29 69.08 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.304 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.17 -18.42 50.92 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.466 2.111 . . . . 0.0 111.95 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.19 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.648 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.4 HG23 ' OD1' ' D' ' 24' ' ' ASP . 84.2 t -64.87 -44.69 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.367 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.4 -44.5 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.36 -39.44 90.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.576 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.76 98.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.759 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.29 -44.1 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.03 -43.1 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.454 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 4.6 mm -62.41 -43.69 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.472 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.75 -46.41 94.54 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.82 -42.85 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.838 0.351 . . . . 0.0 110.393 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 110.127 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.564 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -65.79 -42.89 90.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.575 HD21 ' ND1' ' C' ' 37' ' ' HIS . 2.3 mt -59.6 -47.36 85.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.823 -177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.7 -41.27 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.216 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.8 -44.29 66.89 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.375 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.438 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 58.9 t90 -67.17 -48.77 66.96 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.494 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.5 tt -64.96 -41.59 92.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.168 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.432 ' N ' HG23 ' D' ' 42' ' ' ILE . 46.2 tp -63.74 -41.49 98.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.635 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.34 -31.05 71.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.0 ttt85 -56.79 -37.87 71.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.557 HD12 ' N ' ' D' ' 46' ' ' LEU . 10.4 mp -61.35 -43.29 99.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.349 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -63.18 -45.94 89.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' D' ' 45' ' ' ARG . 84.2 m-85 -128.96 133.74 47.93 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.53 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.462 'BR ' HG22 ' B' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.425 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 25.5 p30 -92.31 143.37 26.46 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.701 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.7 -19.32 63.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.562 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -60.34 -41.86 94.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.592 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -99.16 94.73 6.66 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.126 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.9 150.8 56.54 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -67.61 -18.89 48.59 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.471 2.114 . . . . 0.0 112.14 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.7 mp -62.3 -42.81 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.514 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.343 HG22 'BR ' ' C' ' 100' ' ' 3LW . 89.7 t -64.89 -44.96 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.474 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.25 -45.03 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.29 90.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.602 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.15 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.474 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -64.8 -42.7 94.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.4 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.666 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.08 -43.69 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.03 -45.58 96.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.55 -43.0 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.412 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.5 tt -61.65 -40.88 96.49 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.985 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.608 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -58.99 -41.58 87.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.16 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' O ' HG22 ' A' ' 42' ' ' ILE . 6.8 mt -61.16 -39.26 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.979 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.36 -43.85 98.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 110.334 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.36 -45.37 47.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 72.3 t90 -65.12 -46.2 82.0 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.58 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 38' ' ' LEU . 11.1 tp -64.74 -32.99 60.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.267 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.54 -46.63 89.45 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.91 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 1.8 p30 -67.05 -40.51 87.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.476 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.523 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 78.4 ttt-85 -71.05 -20.17 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.834 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.1 tt -61.71 -46.11 91.06 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.49 -45.58 92.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.7 m-85 -139.68 150.4 44.85 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.53 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.795 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 20' ' ' ASN . 25.6 p30 -92.3 143.25 26.59 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.728 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.56 -19.39 63.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.58 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -60.2 -41.86 93.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.597 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 12.2 t -99.24 94.88 6.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.092 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -85.0 150.76 56.14 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.388 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -67.47 -19.0 49.45 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 122.511 2.141 . . . . 0.0 112.201 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.6 mp -62.1 -42.94 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.588 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.828 HG13 'BR ' ' C' ' 100' ' ' 3LW . 88.9 t -64.77 -44.95 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.48 -44.88 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.502 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.35 90.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.15 84.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.427 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.75 -42.78 94.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.72 -44.45 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.593 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.08 -43.72 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.677 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.16 -45.38 96.66 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.58 -43.08 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.456 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.617 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.5 tt -61.67 -40.86 96.46 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.935 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.8 t60 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.134 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.62 ' O ' HG22 ' B' ' 42' ' ' ILE . 6.7 mt -61.21 -39.24 89.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.0 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.36 -43.76 98.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.021 0.438 . . . . 0.0 110.357 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.39 -45.24 48.07 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 72.1 t90 -65.34 -46.1 81.61 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.483 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.62 HG22 ' O ' ' B' ' 38' ' ' LEU . 11.1 tp -64.88 -32.99 60.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.233 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.52 -46.76 88.97 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 1.8 p30 -66.91 -40.5 87.7 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.483 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 78.4 ttt-85 -71.1 -20.19 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.612 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.1 tt -61.68 -45.99 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 0.0 110.183 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -62.63 -45.6 92.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.65 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.7 m-85 -139.63 150.49 45.03 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.651 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 25.5 p30 -92.43 143.21 26.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.624 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.67 -19.21 63.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 22.7 m -60.4 -41.9 94.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.622 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 12.3 t -99.11 94.76 6.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.002 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.85 150.75 56.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.377 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.74 -18.83 47.78 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.483 2.122 . . . . 0.0 112.069 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.523 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.7 mp -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.81 -44.9 96.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.34 -44.95 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.16 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.82 -42.64 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.965 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.53 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.11 -43.62 97.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.626 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.27 -45.29 96.78 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.63 -43.06 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.47 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.621 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.5 tt -61.65 -40.87 96.44 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.944 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.599 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -59.07 -41.53 88.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.086 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.635 ' O ' HG22 ' C' ' 42' ' ' ILE . 6.8 mt -61.13 -39.23 89.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.02 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.5 -43.68 98.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.369 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -74.45 -45.19 47.96 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.443 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 72.1 t90 -65.4 -46.13 81.24 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.49 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.635 HG22 ' O ' ' C' ' 38' ' ' LEU . 11.1 tp -64.81 -32.94 60.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.201 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.57 -46.54 89.85 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.037 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 1.8 p30 -67.2 -40.38 86.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.465 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 78.4 ttt-85 -71.21 -20.05 62.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.743 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.615 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -61.85 -46.02 91.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.846 0.355 . . . . 0.0 110.061 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -62.56 -45.57 92.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.8 m-85 -139.62 150.4 44.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 pttm . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.749 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.433 ' O ' ' OD1' ' D' ' 20' ' ' ASN . 25.6 p30 -92.24 143.31 26.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.74 -19.44 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 21.2 m -60.23 -41.8 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 12.1 t -99.18 94.74 6.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.092 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -84.81 150.87 56.98 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.354 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.72 -18.81 47.95 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.467 2.111 . . . . 0.0 112.154 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.522 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.6 mp -62.24 -42.97 99.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.578 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.76 -44.88 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.49 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.41 -45.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.429 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.12 84.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.396 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -64.84 -42.7 94.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.76 -44.32 96.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.18 -43.58 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.31 -45.45 96.44 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -43.02 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.374 . . . . 0.0 110.483 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.624 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.6 tt -61.68 -40.93 96.72 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.849 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -58.93 -41.59 87.71 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.638 ' O ' HG22 ' D' ' 42' ' ' ILE . 6.8 mt -61.2 -39.3 89.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.996 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.37 -43.77 98.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.484 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.3 -45.18 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 72.4 t90 -65.31 -46.23 81.18 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.484 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' D' ' 38' ' ' LEU . 11.1 tp -64.82 -33.02 60.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.181 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.46 -46.69 89.15 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.993 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 1.8 p30 -66.92 -40.55 87.68 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.542 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 78.3 ttt-85 -71.13 -20.07 62.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.868 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.617 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -61.81 -46.13 90.85 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.071 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -62.48 -45.66 92.02 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.762 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.8 m-85 -139.57 150.42 45.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 pttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.753 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.343 'BR ' HG22 ' A' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -92.5 4.89 52.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.567 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -73.64 -9.27 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.9 p -61.61 -37.16 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -91.61 94.66 9.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.969 0.414 . . . . 0.0 110.436 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.58 152.08 83.1 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -45.94 -39.14 19.28 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.607 2.205 . . . . 0.0 112.058 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.4 mp -64.63 -40.54 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.47 -51.23 75.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.735 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.59 -40.19 87.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.39 89.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.93 85.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.525 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.45 -43.77 96.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.634 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.6 -44.08 96.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.498 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' CD1' ' B' ' 38' ' ' LEU . 87.3 mt -63.44 -43.55 98.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.83 -47.22 91.61 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.7 -42.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.432 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -60.34 -40.71 91.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.297 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.1 t60 -59.32 -41.59 89.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.49 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 5.5 mt -60.96 -39.29 88.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.72 -44.71 99.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.355 0.41 . . . . 0.0 110.393 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.65 -43.3 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 110.97 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 70.8 t90 -65.52 -47.14 76.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.088 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 13.5 tt -67.75 -38.86 80.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.367 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 4.3 tt -62.26 -41.64 98.63 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.572 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.508 ' CG ' HH12 ' B' ' 45' ' ' ARG . 22.5 t70 -59.23 -45.37 91.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.58 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.572 ' NE ' ' CZ2' ' A' ' 41' ' ' TRP . 94.6 mtt-85 -66.71 -20.44 65.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -61.46 -49.55 76.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.091 0.472 . . . . 0.0 110.541 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.79 -43.71 92.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ARG . 8.5 m-85 -117.53 122.21 43.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.374 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.437 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.65 4.39 53.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.554 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.31 -9.3 58.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.485 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -61.7 -36.48 81.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -92.32 94.71 9.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.982 0.42 . . . . 0.0 110.558 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.84 151.93 82.49 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.732 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.04 -38.77 19.38 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.609 2.206 . . . . 0.0 112.025 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.3 mp -64.75 -40.56 95.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.487 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.36 -51.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.779 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.414 HG23 ' N ' ' B' ' 29' ' ' ALA . 19.2 m -65.27 -40.56 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.506 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.414 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -65.2 -38.07 89.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.526 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.92 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -63.59 -43.37 97.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.514 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.18 -44.03 95.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' CG2' ' CD1' ' C' ' 38' ' ' LEU . 84.6 mt -63.36 -43.64 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.88 -46.78 93.09 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.0 -42.7 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.884 0.373 . . . . 0.0 110.402 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 36' ' ' LEU . 1.3 tt -60.61 -40.8 93.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.2 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 6.9 t60 -59.05 -42.21 89.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 5.3 mt -60.3 -39.89 88.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.066 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.39 -44.75 99.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 123.41 0.444 . . . . 0.0 110.442 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -74.51 -43.11 57.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.891 0.376 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 70.4 t90 -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.007 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.558 HG22 ' O ' ' B' ' 38' ' ' LEU . 14.0 tt -67.65 -38.3 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 4.1 tt -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.595 -179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.439 ' CG ' HH12 ' C' ' 45' ' ' ARG . 22.8 t70 -59.27 -44.63 92.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.496 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' B' ' 41' ' ' TRP . 94.7 mtt-85 -67.44 -20.49 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.603 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -61.43 -49.53 76.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 110.503 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -64.83 -43.37 93.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' B' ' 45' ' ' ARG . 8.4 m-85 -117.99 122.35 43.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.398 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.404 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.21 4.19 53.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.516 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -73.07 -8.78 57.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.2 -36.38 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.3 94.31 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.079 0.466 . . . . 0.0 110.424 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.29 152.16 83.75 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.699 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.25 -38.7 20.39 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.619 2.213 . . . . 0.0 112.107 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.558 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -64.8 -40.58 95.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.623 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.295 HG22 'BR ' ' C' ' 100' ' ' 3LW . 76.9 t -61.2 -51.5 72.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -178.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.4 HG23 ' N ' ' C' ' 29' ' ' ALA . 18.9 m -65.43 -40.68 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.466 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.4 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -65.07 -37.62 88.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.485 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.09 89.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.572 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.22 -43.75 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.67 -44.1 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' D' ' 38' ' ' LEU . 84.9 mt -63.39 -43.73 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.68 -46.88 92.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.81 -42.79 97.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.427 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.628 ' O ' HD23 ' C' ' 36' ' ' LEU . 1.3 tt -60.57 -40.43 91.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.155 0.502 . . . . 0.0 110.341 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.625 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.1 t60 -59.81 -41.38 91.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.466 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 5.5 mt -61.02 -39.47 89.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.043 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.57 -44.7 99.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 123.328 0.392 . . . . 0.0 110.466 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 89.5 mt -74.71 -43.38 55.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.579 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 70.5 t90 -65.5 -47.0 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.562 HG22 ' O ' ' C' ' 38' ' ' LEU . 14.2 tt -67.77 -38.55 80.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.383 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.421 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 4.3 tt -62.61 -42.01 99.32 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.548 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.492 ' CG ' HH12 ' D' ' 45' ' ' ARG . 22.6 t70 -59.02 -45.11 91.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.48 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.579 ' NE ' ' CZ2' ' C' ' 41' ' ' TRP . 94.5 mtt-85 -66.84 -20.77 65.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.611 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -61.22 -49.7 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.972 0.415 . . . . 0.0 110.462 -179.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -64.56 -43.61 93.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' C' ' 45' ' ' ARG . 8.6 m-85 -117.79 122.2 42.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.467 179.759 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -92.37 4.43 53.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.47 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -73.44 -8.66 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -62.38 -36.66 82.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.0 94.58 9.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -76.52 152.18 83.27 Favored Pre-proline 0 N--CA 1.45 -0.454 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.77 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -46.07 -39.32 20.09 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.605 2.203 . . . . 0.0 112.103 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -64.32 -41.06 97.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.87 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.685 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -65.2 -40.38 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.494 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.14 89.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.469 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.576 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . 0.746 ' ND2' 'BR ' ' C' ' 100' ' ' 3LW . 95.8 m-20 -63.23 -43.78 97.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.61 -44.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.407 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 87.4 mt -63.33 -43.74 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.437 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.95 -46.69 93.3 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.0 -42.87 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.954 0.407 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' D' ' 36' ' ' LEU . 1.3 tt -60.36 -40.51 91.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.279 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.1 t60 -59.4 -41.67 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.571 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.625 HD21 ' ND1' ' C' ' 37' ' ' HIS . 5.6 mt -60.87 -39.4 89.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.79 -44.89 99.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 123.401 0.438 . . . . 0.0 110.482 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.33 -43.05 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.891 0.377 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.582 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 70.5 t90 -65.85 -47.03 76.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.17 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.556 HG22 ' O ' ' D' ' 38' ' ' LEU . 13.9 tt -67.74 -38.59 80.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.378 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 4.2 tt -62.5 -41.96 99.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.542 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.502 ' CG ' HH12 ' A' ' 45' ' ' ARG . 22.7 t70 -58.99 -44.87 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.582 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 94.7 mtt-85 -67.09 -20.38 65.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.719 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.603 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -61.67 -49.41 76.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.373 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.87 -43.59 92.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 8.5 m-85 -117.77 122.62 43.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 110.33 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.445 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.295 'BR ' HG22 ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -88.04 103.92 16.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -81.95 -7.12 59.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.532 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -60.41 -33.75 72.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 t -55.02 -16.6 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.187 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.24 104.35 0.35 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.441 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.0 -34.82 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.346 2.031 . . . . 0.0 112.28 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.43 -47.69 84.58 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.399 -178.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.45 -42.8 94.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.403 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.22 -44.3 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.658 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -41.03 85.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.546 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.01 86.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.635 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.6 -43.19 94.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.81 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.39 -44.27 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.35 -43.85 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.73 89.78 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 0.0 110.231 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.3 tp -59.19 -42.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.483 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.602 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -58.35 -40.43 82.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.345 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' D' ' 37' ' ' HIS . 7.0 mt -61.32 -40.07 92.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.92 -48.61 83.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.284 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.14 69.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.954 0.406 . . . . 0.0 111.45 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.447 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 83.7 t90 -65.52 -38.35 89.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.25 -45.69 98.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.23 -37.89 89.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.251 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -60.39 -41.46 93.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.643 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 48' ' ' PHE . 80.4 ttt180 -78.52 -22.98 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.76 -50.44 72.38 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.606 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -73.65 -38.54 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 45' ' ' ARG . 45.0 m-85 -100.73 118.49 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.459 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.573 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.41 103.73 16.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.318 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.93 -7.18 59.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.4 m -60.32 -33.96 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -54.76 -16.52 2.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.153 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -42.22 104.32 0.35 Allowed Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.357 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.25 -34.51 49.43 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.245 1.963 . . . . 0.0 112.237 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -61.49 -48.08 82.72 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.418 -178.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.99 -43.13 96.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.95 -44.42 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.618 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.34 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.473 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.06 88.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -64.72 -43.03 94.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.3 -44.3 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.545 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.36 -43.89 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.73 -47.56 90.61 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.55 -43.02 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.32 -42.14 90.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.595 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -58.37 -40.44 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.249 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.602 HD21 ' ND1' ' A' ' 37' ' ' HIS . 7.1 mt -61.32 -40.22 93.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.91 -48.75 83.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.355 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.56 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.8 mm? -70.69 -43.06 69.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 111.411 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 83.4 t90 -65.58 -38.47 89.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.13 -45.68 98.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.087 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.18 -37.93 89.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.319 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.63 -41.07 94.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.444 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' B' ' 48' ' ' PHE . 79.4 ttt180 -78.75 -22.97 45.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.685 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.85 -50.28 72.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.569 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -73.82 -38.42 64.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' B' ' 45' ' ' ARG . 45.2 m-85 -100.9 118.22 36.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.526 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.468 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -89.07 103.42 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -81.49 -7.12 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -60.65 -33.69 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -54.97 -16.51 2.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.114 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.15 104.28 0.35 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.436 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 -34.64 49.61 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.377 2.051 . . . . 0.0 112.293 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' C' ' 26' ' ' LEU . 0.2 OUTLIER -61.34 -48.08 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.402 -178.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 1.214 ' HA ' 'BR ' ' C' ' 100' ' ' 3LW . 93.2 t -65.06 -43.09 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.89 -44.68 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.629 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -40.93 82.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.452 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.25 87.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ASN . . . . . 0.435 ' ND2' HD11 ' B' ' 26' ' ' LEU . 41.5 t30 -64.32 -42.86 96.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.52 -44.4 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.42 -43.63 97.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.637 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.02 -47.57 90.61 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.47 -43.16 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.162 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.14 -42.11 89.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.6 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -58.49 -40.3 82.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.595 HD21 ' ND1' ' B' ' 37' ' ' HIS . 7.0 mt -61.31 -39.89 92.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -48.65 83.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.352 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.561 ' N ' HD22 ' C' ' 40' ' ' LEU . 3.8 mm? -70.77 -43.16 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.035 0.445 . . . . 0.0 111.467 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.451 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 83.9 t90 -65.49 -38.5 89.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mt -62.24 -45.76 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.04 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.12 -37.86 88.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.288 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.52 -41.5 94.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' C' ' 48' ' ' PHE . 80.5 ttt180 -78.36 -22.95 47.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.617 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.93 -50.15 73.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.494 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -74.01 -38.04 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.773 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' C' ' 45' ' ' ARG . 45.0 m-85 -101.31 118.42 36.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.486 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.418 179.861 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -88.74 103.34 15.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.551 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -81.53 -6.98 59.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.9 m -60.56 -33.85 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 35.0 t -54.78 -16.79 2.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.231 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -42.05 104.25 0.34 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.04 -35.02 49.27 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.229 1.952 . . . . 0.0 112.221 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.535 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -61.16 -48.11 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.327 -178.518 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.91 -43.3 96.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.369 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.9 -44.39 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.629 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.76 82.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.49 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.81 90.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.676 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -64.77 -43.02 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.27 -44.4 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.539 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -64.46 -43.62 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.504 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.11 -47.58 90.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.43 -43.01 98.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.31 -42.17 90.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.539 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -58.41 -40.24 81.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.38 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.6 HD21 ' ND1' ' C' ' 37' ' ' HIS . 7.2 mt -61.5 -40.09 93.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 79.4 mt -58.17 -48.25 85.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.363 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' D' ' 40' ' ' LEU . 3.8 mm? -71.16 -42.92 68.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.941 0.401 . . . . 0.0 111.371 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.444 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 83.5 t90 -65.85 -38.32 88.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.34 -45.75 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.063 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.1 -37.93 89.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.31 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -60.35 -41.29 93.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' D' ' 48' ' ' PHE . 80.4 ttt180 -78.75 -22.89 45.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.99 -49.9 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.6 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -74.27 -37.92 63.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' D' ' 45' ' ' ARG . 44.8 m-85 -101.49 118.18 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.501 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.504 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.214 'BR ' ' HA ' ' C' ' 27' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_