data_1nyj_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 1nyj _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.512 2.675 0 CA-C-O 122.376 1.084 . . . . 0.0 113.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -66.72 -25.65 66.62 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.12 -2.237 . . . . 0.0 114.005 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.05 -53.21 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.932 1.293 . . . . 0.0 111.192 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.88 -32.2 94.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 CA-C-N 124.353 2.59 . . . . 0.0 117.632 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.77 -48.36 66.58 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.275 0.943 . . . . 0.0 112.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.39 -38.96 81.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.469 -1.394 . . . . 0.0 112.674 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 C-N-CA 125.327 1.451 . . . . 0.0 112.249 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.15 80.64 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.222 ' O ' ' CD1' ' D' ' 14' ' ' ILE . . . -59.83 -43.0 94.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.421 1.088 . . . . 0.0 112.408 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 m -58.86 -48.03 82.8 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.114 0.966 . . . . 0.0 113.389 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.9 -43.39 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.613 1.165 . . . . 0.0 112.027 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.044 ' C ' ' CD2' ' D' ' 17' ' ' LEU . 69.5 mt -58.74 -48.05 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.782 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.484 ' CA ' ' CD2' ' D' ' 17' ' ' LEU . . . -58.39 -43.97 95.47 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 121.069 -1.019 . . . . 0.0 115.031 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 1.155 ' CD1' ' O ' ' B' ' 9' ' ' ALA . 29.1 mm -61.36 -46.92 95.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 121.755 -0.85 . . . . 0.0 112.66 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.04 -45.69 86.57 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.554 -1.341 . . . . 0.0 113.141 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 1.601 ' CB ' ' CD1' ' D' ' 17' ' ' LEU . 23.8 t-160 -59.32 -44.58 92.58 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 1.575 ' CD1' ' CB ' ' B' ' 16' ' ' HIS . 47.1 tp -60.46 -46.69 89.16 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.883 -1.136 . . . . 0.0 113.718 176.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.94 -46.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 C-N-CA 124.862 1.265 . . . . 0.0 112.261 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.4 -46.62 83.27 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 1.562 ' CD1' ' NE2' ' B' ' 16' ' ' HIS . 76.8 t-105 -58.81 -47.45 84.73 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.148 0.979 . . . . 0.0 113.637 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 C-N-CA 125.445 1.498 . . . . 0.0 112.327 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.86 -38.85 92.47 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.237 -1.539 . . . . 0.0 113.39 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.67 -40.31 92.24 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.95 -1.094 . . . . 0.0 113.886 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.36 -33.97 76.34 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.384 0.674 . . . . 0.0 112.681 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.592 0 C-N-CA 123.964 0.906 . . . . 0.0 112.39 176.454 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 1.155 ' O ' ' CD1' ' A' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 1.014 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 1.484 ' CA ' ' CD2' ' A' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 1.226 ' CD1' ' O ' ' C' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 1.575 ' CB ' ' CD1' ' A' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 1.522 ' CD2' ' CA ' ' C' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' TRP . . . . . 0.57 ' CZ2' ' CZ3' ' C' ' 20' ' ' TRP . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.74 -25.63 66.6 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.154 -2.216 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.06 -53.17 0.8 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.918 1.287 . . . . 0.0 111.203 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.294 2.569 . . . . 0.0 117.626 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 69.7 mt -67.84 -48.25 66.71 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.614 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.68 -51.69 70.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 112.247 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.18 80.41 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 1.226 ' O ' ' CD1' ' B' ' 14' ' ' ILE . . . -59.81 -43.02 94.69 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.412 1.085 . . . . 0.0 112.401 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.6 1.16 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 1.065 ' C ' ' CD2' ' B' ' 17' ' ' LEU . 69.6 mt -58.69 -48.07 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.79 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 1.522 ' CA ' ' CD2' ' B' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.047 -1.033 . . . . 0.0 115.02 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . 1.176 ' CD1' ' O ' ' D' ' 9' ' ' ALA . 29.1 mm -61.38 -46.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.628 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.353 . . . . 0.0 113.155 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 20' ' ' TRP . 23.8 t-160 -59.32 -44.56 92.58 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 175.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 1.591 ' CD1' ' CB ' ' D' ' 16' ' ' HIS . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.02 -46.85 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.819 1.247 . . . . 0.0 112.246 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.67 83.2 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' TRP . . . . . 0.645 ' CZ2' ' CZ3' ' D' ' 20' ' ' TRP . 76.8 t-105 -58.77 -47.45 84.66 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.215 -1.553 . . . . 0.0 113.433 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.64 -40.32 92.4 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.901 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.419 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 1.176 ' O ' ' CD1' ' C' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . 0.979 ' C ' ' CD2' ' C' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLY . . . . . 1.536 ' CA ' ' CD2' ' C' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . 1.222 ' CD1' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' HIS . . . . . 1.591 ' CB ' ' CD1' ' C' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 1.601 ' CD1' ' CB ' ' A' ' 16' ' ' HIS . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' TRP . . . . . 1.546 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.512 2.675 0 CA-C-O 122.376 1.084 . . . . 0.0 113.092 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -66.72 -25.65 66.62 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.12 -2.237 . . . . 0.0 114.005 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.05 -53.21 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.932 1.293 . . . . 0.0 111.192 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.88 -32.2 94.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 CA-C-N 124.353 2.59 . . . . 0.0 117.632 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.77 -48.36 66.58 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.275 0.943 . . . . 0.0 112.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.39 -38.96 81.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.469 -1.394 . . . . 0.0 112.674 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 C-N-CA 125.327 1.451 . . . . 0.0 112.249 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.15 80.64 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 1.439 ' HB1' ' CG1' ' D' ' 14' ' ' ILE . . . -59.83 -43.0 94.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.421 1.088 . . . . 0.0 112.408 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HD11 ' D' ' 14' ' ' ILE . 21.9 m -58.86 -48.03 82.8 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.114 0.966 . . . . 0.0 113.389 175.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.9 -43.39 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.613 1.165 . . . . 0.0 112.027 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.227 ' O ' HD21 ' D' ' 17' ' ' LEU . 69.5 mt -58.74 -48.05 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.782 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.636 ' HA2' ' CD2' ' D' ' 17' ' ' LEU . . . -58.39 -43.97 95.47 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 121.069 -1.019 . . . . 0.0 115.031 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.364 ' CG1' ' HB1' ' B' ' 9' ' ' ALA . 29.1 mm -61.36 -46.92 95.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 121.755 -0.85 . . . . 0.0 112.66 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.04 -45.69 86.57 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.554 -1.341 . . . . 0.0 113.141 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 1.601 ' CB ' ' CD1' ' D' ' 17' ' ' LEU . 23.8 t-160 -59.32 -44.58 92.58 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.629 ' CD2' ' HA2' ' B' ' 13' ' ' GLY . 47.1 tp -60.46 -46.69 89.16 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.883 -1.136 . . . . 0.0 113.718 176.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.94 -46.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 C-N-CA 124.862 1.265 . . . . 0.0 112.261 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.4 -46.62 83.27 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 1.562 ' CD1' ' NE2' ' B' ' 16' ' ' HIS . 76.8 t-105 -58.81 -47.45 84.73 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.148 0.979 . . . . 0.0 113.637 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 C-N-CA 125.445 1.498 . . . . 0.0 112.327 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.86 -38.85 92.47 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.237 -1.539 . . . . 0.0 113.39 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.67 -40.31 92.24 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.95 -1.094 . . . . 0.0 113.886 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.744 HH21 ' HZ2' ' A' ' 20' ' ' TRP . 36.6 mmt180 -67.36 -33.97 76.34 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.384 0.674 . . . . 0.0 112.681 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.592 0 C-N-CA 123.964 0.906 . . . . 0.0 112.39 176.454 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 1.364 ' HB1' ' CG1' ' A' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.458 ' N ' HD11 ' A' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 1.211 ' O ' HD21 ' A' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 1.629 ' HA2' ' CD2' ' A' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 1.391 ' CG1' ' HB1' ' C' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 1.575 ' CB ' ' CD1' ' A' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 1.611 ' CD2' ' HA2' ' C' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' TRP . . . . . 0.734 ' HZ2' HH21 ' B' ' 24' ' ' ARG . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.734 HH21 ' HZ2' ' B' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.74 -25.63 66.6 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.154 -2.216 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.06 -53.17 0.8 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.918 1.287 . . . . 0.0 111.203 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.294 2.569 . . . . 0.0 117.626 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 69.7 mt -67.84 -48.25 66.71 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.614 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.68 -51.69 70.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 112.247 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.18 80.41 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 1.391 ' HB1' ' CG1' ' B' ' 14' ' ' ILE . . . -59.81 -43.02 94.69 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.412 1.085 . . . . 0.0 112.401 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.511 ' N ' HD11 ' B' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.6 1.16 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 1.299 ' O ' HD21 ' B' ' 17' ' ' LEU . 69.6 mt -58.69 -48.07 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.79 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 1.611 ' HA2' ' CD2' ' B' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.047 -1.033 . . . . 0.0 115.02 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . 1.302 ' CG1' ' HB1' ' D' ' 9' ' ' ALA . 29.1 mm -61.38 -46.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.628 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.353 . . . . 0.0 113.155 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 20' ' ' TRP . 23.8 t-160 -59.32 -44.56 92.58 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 175.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 1.587 ' CD2' ' HA2' ' D' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.02 -46.85 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.819 1.247 . . . . 0.0 112.246 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.67 83.2 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' TRP . . . . . 0.762 ' HZ2' ' CZ3' ' D' ' 20' ' ' TRP . 76.8 t-105 -58.77 -47.45 84.66 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.215 -1.553 . . . . 0.0 113.433 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.64 -40.32 92.4 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.901 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ARG . . . . . 0.756 HH21 ' HZ2' ' C' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.419 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 1.302 ' HB1' ' CG1' ' C' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.435 ' N ' HD11 ' C' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 1.156 ' O ' HD21 ' C' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLY . . . . . 1.587 ' HA2' ' CD2' ' C' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . 1.439 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' HIS . . . . . 1.57 ' CB ' ' CD1' ' C' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 1.636 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' TRP . . . . . 1.546 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ARG . . . . . 0.754 HH21 ' HZ2' ' D' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.512 2.675 0 CA-C-O 122.376 1.084 . . . . 0.0 113.092 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -66.72 -25.65 66.62 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 119.12 -2.237 . . . . 0.0 114.005 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.05 -53.21 0.79 Allowed Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 124.932 1.293 . . . . 0.0 111.192 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.88 -32.2 94.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 CA-C-N 124.353 2.59 . . . . 0.0 117.632 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.77 -48.36 66.58 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 119.275 0.943 . . . . 0.0 112.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.39 -38.96 81.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.469 -1.394 . . . . 0.0 112.674 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.66 -51.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 C-N-CA 125.327 1.451 . . . . 0.0 112.249 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.15 80.64 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 1.439 ' HB1' ' CG1' ' D' ' 14' ' ' ILE . . . -59.83 -43.0 94.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.421 1.088 . . . . 0.0 112.408 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HD11 ' D' ' 14' ' ' ILE . 21.9 m -58.86 -48.03 82.8 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.114 0.966 . . . . 0.0 113.389 175.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.9 -43.39 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.613 1.165 . . . . 0.0 112.027 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.227 ' O ' HD21 ' D' ' 17' ' ' LEU . 69.5 mt -58.74 -48.05 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 114.625 -1.171 . . . . 0.0 112.782 176.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.636 ' HA2' ' CD2' ' D' ' 17' ' ' LEU . . . -58.39 -43.97 95.47 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 121.069 -1.019 . . . . 0.0 115.031 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.364 ' CG1' ' HB1' ' B' ' 9' ' ' ALA . 29.1 mm -61.36 -46.92 95.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 121.755 -0.85 . . . . 0.0 112.66 175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.04 -45.69 86.57 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 120.554 -1.341 . . . . 0.0 113.141 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 1.601 ' CB ' ' CD1' ' D' ' 17' ' ' LEU . 23.8 t-160 -59.32 -44.58 92.58 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.629 ' CD2' ' HA2' ' B' ' 13' ' ' GLY . 47.1 tp -60.46 -46.69 89.16 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 120.883 -1.136 . . . . 0.0 113.718 176.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.94 -46.93 87.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 C-N-CA 124.862 1.265 . . . . 0.0 112.261 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.4 -46.62 83.27 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 113.782 1.031 . . . . 0.0 113.782 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 1.562 ' CD1' ' NE2' ' B' ' 16' ' ' HIS . 76.8 t-105 -58.81 -47.45 84.73 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.148 0.979 . . . . 0.0 113.637 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 C-N-CA 125.445 1.498 . . . . 0.0 112.327 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.0 tp -62.86 -38.85 92.47 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.237 -1.539 . . . . 0.0 113.39 174.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.67 -40.31 92.24 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.95 -1.094 . . . . 0.0 113.886 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.744 HH21 ' HZ2' ' A' ' 20' ' ' TRP . 36.6 mmt180 -67.36 -33.97 76.34 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 123.384 0.674 . . . . 0.0 112.681 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--N 1.35 0.592 0 C-N-CA 123.964 0.906 . . . . 0.0 112.39 176.454 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 1.364 ' HB1' ' CG1' ' A' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.458 ' N ' HD11 ' A' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 1.211 ' O ' HD21 ' A' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 1.629 ' HA2' ' CD2' ' A' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 1.391 ' CG1' ' HB1' ' C' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 1.575 ' CB ' ' CD1' ' A' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 1.611 ' CD2' ' HA2' ' C' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' TRP . . . . . 0.734 ' HZ2' HH21 ' B' ' 24' ' ' ARG . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.734 HH21 ' HZ2' ' B' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.74 -25.63 66.6 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.154 -2.216 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.06 -53.17 0.8 Allowed Pre-proline 0 CA--C 1.56 1.344 0 C-N-CA 124.918 1.287 . . . . 0.0 111.203 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.294 2.569 . . . . 0.0 117.626 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 69.7 mt -67.84 -48.25 66.71 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.614 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.68 -51.69 70.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.283 1.433 . . . . 0.0 112.247 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.18 80.41 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 1.391 ' HB1' ' CG1' ' B' ' 14' ' ' ILE . . . -59.81 -43.02 94.69 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.412 1.085 . . . . 0.0 112.401 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.511 ' N ' HD11 ' B' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.6 1.16 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 1.299 ' O ' HD21 ' B' ' 17' ' ' LEU . 69.6 mt -58.69 -48.07 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.79 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 1.611 ' HA2' ' CD2' ' B' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.047 -1.033 . . . . 0.0 115.02 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . 1.302 ' CG1' ' HB1' ' D' ' 9' ' ' ALA . 29.1 mm -61.38 -46.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.628 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.353 . . . . 0.0 113.155 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' HIS . . . . . 0.418 ' CE1' ' CB ' ' B' ' 20' ' ' TRP . 23.8 t-160 -59.32 -44.56 92.58 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 175.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 1.587 ' CD2' ' HA2' ' D' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -58.02 -46.85 87.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.819 1.247 . . . . 0.0 112.246 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.67 83.2 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' TRP . . . . . 0.762 ' HZ2' ' CZ3' ' D' ' 20' ' ' TRP . 76.8 t-105 -58.77 -47.45 84.66 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 176.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.11 82.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.81 -38.9 92.55 Favored 'General case' 0 C--N 1.351 0.669 0 O-C-N 120.215 -1.553 . . . . 0.0 113.433 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.64 -40.32 92.4 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.901 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . 0.756 HH21 ' HZ2' ' C' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.419 176.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 122.381 1.086 . . . . 0.0 113.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -66.72 -25.63 66.61 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.135 -2.228 . . . . 0.0 113.989 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.09 -53.15 0.79 Allowed Pre-proline 0 CA--C 1.561 1.369 0 C-N-CA 124.918 1.287 . . . . 0.0 111.204 174.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.97 -32.14 94.61 Favored 'Trans proline' 0 C--N 1.342 0.229 0 CA-C-N 124.316 2.577 . . . . 0.0 117.626 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.81 -48.28 66.7 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.294 0.952 . . . . 0.0 112.632 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.4 -38.97 81.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 120.47 -1.394 . . . . 0.0 112.66 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.66 -51.72 69.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 C-N-CA 125.304 1.442 . . . . 0.0 112.255 172.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.16 80.42 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 1.302 ' HB1' ' CG1' ' C' ' 14' ' ' ILE . . . -59.82 -43.02 94.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.422 1.089 . . . . 0.0 112.401 175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.435 ' N ' HD11 ' C' ' 14' ' ' ILE . 22.0 m -58.86 -48.05 82.73 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.115 0.966 . . . . 0.0 113.381 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.91 -43.4 95.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 C-N-CA 124.612 1.165 . . . . 0.0 112.012 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 1.156 ' O ' HD21 ' C' ' 17' ' ' LEU . 69.6 mt -58.72 -48.05 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.782 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLY . . . . . 1.587 ' HA2' ' CD2' ' C' ' 17' ' ' LEU . . . -58.36 -43.98 95.42 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 121.09 -1.006 . . . . 0.0 115.02 175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . 1.439 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 29.1 mm -61.41 -46.9 95.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 121.741 -0.858 . . . . 0.0 112.63 175.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.03 -45.69 86.55 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.572 -1.33 . . . . 0.0 113.155 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' HIS . . . . . 1.57 ' CB ' ' CD1' ' C' ' 17' ' ' LEU . 23.8 t-160 -59.29 -44.59 92.49 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 1.636 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 47.2 tp -60.49 -46.68 89.21 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.886 -1.134 . . . . 0.0 113.701 176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -57.99 -46.89 87.77 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 124.841 1.257 . . . . 0.0 112.249 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 49.7 mt -57.39 -46.66 83.21 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' TRP . . . . . 1.546 ' CD1' ' NE2' ' A' ' 16' ' ' HIS . 76.8 t-105 -58.78 -47.45 84.68 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.148 0.979 . . . . 0.0 113.633 176.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm -58.1 -42.12 82.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 C-N-CA 125.471 1.509 . . . . 0.0 112.346 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.8 -38.9 92.52 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 120.202 -1.561 . . . . 0.0 113.433 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.66 -40.3 92.27 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.941 -1.099 . . . . 0.0 113.899 173.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . 0.754 HH21 ' HZ2' ' D' ' 20' ' ' TRP . 36.6 mmt180 -67.33 -33.98 76.38 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 123.382 0.673 . . . . 0.0 112.693 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.349 0.578 0 C-N-CA 123.976 0.911 . . . . 0.0 112.427 176.425 . . . . . . . . 0 0 . 1 stop_ save_